產品介紹
Enamine 的篩選化合物:
Building blocks
HTS Collection
Compounds Libraies
Screening Collection
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ADME AND DIVERSITY PROFILES
Comparison of mean ADME values for screening collections
Property |
Advanced Collection |
HTS Collection |
Historical Collection |
MolWeight |
309.40 |
379.36 |
430.58 |
LogP |
1.74 |
3.09 |
4.08 |
H-bond acceptors |
6.16 |
6.66 |
7.11 |
H-bond donors |
1.10 |
1.01 |
0.94 |
Rotatable bonds |
4.55 |
5.19 |
6.05 |
FISA, A2 |
105.50 |
106.25 |
105.87 |
CACO2, nm/s |
982.26 |
1204.16 |
1375.72 |
LogS |
-3.26 |
-4.67 |
-5.59 |
Drug-likeness of screening collections (percentages)
Property |
Advanced Collection |
HTS Collection |
Historical Collection |
Conform to |
99.3 |
89.4 |
61.8 |
Water solubility over 1 μM |
99.6 |
82.4 |
61.6 |
Medchemfilter 1,2 |
100 |
80.2 |
85.5 |
All drug-like filters, |
88.5 |
66.0 |
42.6 |
Diversity coefficient |
0.835 |
0.819 |
0.784 |
ADME properties for certain types of structures were not calculated due to software limitations.
一般篩選藥物的供應 :
平均可用重量 |
150 mg |
純度 |
> 90% |
品質管制 |
100% NMR, LC/MS |
包裝方式 |
dry powders / DMSO solutions in |
交貨期限 |
14 天 |
再合成製作 |
8-10 週 |