UCSF

ZINC70324570

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 21 Yes

Popular Name: (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one (3R)-1-[(1-cyclohexylpyrazol-3-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) 1.90 6.59 -46.22 2 5 1 55 291.419 3 ↓
Hi High (pH 8-9.5) 1.90 5.4 -13.5 1 5 0 50 290.411 3 ↓

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

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