UCSF

ZINC64539212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 No

Popular Name: (6S)-2-(3,4-dimethylphenyl)-6-[4-[(2S)-6-methoxy-2H-indole-2-carbonyl]-1,4-diazepan-1-yl]-1,6-dihydr (6S)-2-(3,4-dimethylphenyl)-6-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 8.96 -45.74 2 8 1 79 474.585 4 ↓
Lo Low (pH 4.5-6) 3.31 10.81 -107.06 3 8 2 80 475.593 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.