UCSF

ZINC65531457

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 16 Yes

Popular Name: (3R,8aS)-3-(4-bromo-2-thienyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (3R,8aS)-3-(4-bromo-2-thienyl)-3…

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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) 2.60 2.66 -30.96 1 3 0 40 301.209 1 ↓
Hi High (pH 8-9.5) 2.41 3.03 -6.76 1 3 0 32 301.209 1 ↓
Lo Low (pH 4.5-6) 2.41 5.23 -40.4 2 3 1 34 302.217 1 ↓

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

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