UCSF

ZINC67435130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 Yes

Popular Name: (2R)-2-methyl-1-[2-(1-methylimidazol-2-yl)benzoyl]-1,4-diazepan-5-one (2R)-2-methyl-1-[2-(1-methylimid…

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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) 0.60 5.97 -33.7 2 6 1 68 313.381 2 ↓
Mid Mid (pH 6-8) 0.60 5.52 -17.27 1 6 0 67 312.373 2 ↓

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

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