UCSF

ZINC65527536

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: (3aR,7S)-7-(4-chlorophenyl)-2-(3-methyl-4-pyridyl)-5,6,7,8-tetrahydro-3aH-imidazo[4,5-c]azepin-4-one (3aR,7S)-7-(4-chlorophenyl)-2-(3…

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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) 3.64 7.47 -18.13 2 5 0 71 352.825 2 ↓
Lo Low (pH 4.5-6) 3.64 7.94 -42.39 3 5 1 72 353.833 2 ↓

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Rings

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

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