UCSF

ZINC67963253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: (2S)-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[1-methyl-3-(3-pyridyl)py…

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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) 1.35 4.2 -11.4 2 6 0 72 305.341 2 ↓
Lo Low (pH 4.5-6) 1.35 4.68 -46.82 3 6 1 73 306.349 2 ↓

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

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