UCSF

ZINC65496317

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: (3aR)-2-[2-(2-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-3aH-imidazo[4,5-c]azepin-4-one (3aR)-2-[2-(2-methylimidazol-1-y…

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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) 1.61 6.65 -24.95 2 6 0 76 307.357 2 ↓
Mid Mid (pH 6-8) 1.61 7.12 -33.16 3 6 1 77 308.365 2 ↓
Lo Low (pH 4.5-6) 1.61 7.32 -80.39 4 6 2 78 309.373 2 ↓

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

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