UCSF

ZINC65508747

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 Yes

Popular Name: (3aS)-2-(2-imidazol-1-ylphenyl)-7,7-dimethyl-3a,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (3aS)-2-(2-imidazol-1-ylphenyl)-…

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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) 2.41 7.77 -23.24 2 6 0 76 321.384 2 ↓
Lo Low (pH 4.5-6) 2.41 8.91 -30.28 3 6 1 77 322.392 2 ↓
Lo Low (pH 4.5-6) 2.41 8.67 -82.52 4 6 2 78 323.4 2 ↓

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

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