UCSF

ZINC65536683

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

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

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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) 3.06 5.42 -19.19 2 5 0 71 306.369 1 ↓
Lo Low (pH 4.5-6) 3.06 5.84 -35.27 3 5 1 72 307.377 1 ↓

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

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