UCSF

ZINC65731171

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 36 Yes

Popular Name: 1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-[methyl(2H-tetrazol-5-yl)amino]p 1-[(3R)-5-cyclohexyl-1-methyl-2-…

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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) 3.88 9.89 -36.55 4 11 1 133 488.576 5 ↓
Mid Mid (pH 6-8) 3.88 9.93 -63 3 11 0 131 487.568 5 ↓
Lo Low (pH 4.5-6) 3.88 10.04 -38.12 4 11 1 133 488.576 5 ↓

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

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