UCSF

ZINC00525293

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 Yes

Popular Name: [(3S)-3-(azepane-1-carbonyl)piperidino]-(3-chlorophenyl)methanone [(3S)-3-(azepane-1-carbonyl)pipe…

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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) 3.10 -0.09 -8.34 0 4 0 40 348.874 2 ↓

Activity (Go SEA)

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