UCSF

ZINC65525832

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 20 Yes

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

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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) 2.08 5.13 -38.03 3 5 1 62 279.408 3 ↓
Lo Low (pH 4.5-6) 2.08 5.2 -92.68 4 5 2 63 280.416 3 ↓

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

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