UCSF

ZINC36977427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Popular Name: (3S)-3-[[3-(2-chlorophenyl)cyclobutyl]amino]azepan-2-one (3S)-3-[[3-(2-chlorophenyl)cyclo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.71 7.2 -43.54 3 3 1 46 293.818 3 ↓
Hi High (pH 8-9.5) 2.71 6.9 -8.33 2 3 0 41 292.81 3 ↓

Activity (Go SEA)

Rings

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