UCSF

ZINC70306772

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 21 Yes

Popular Name: 7-chloro-2-[[[(1R)-1-cyclopentylethyl]amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[[(1R)-1-cyclopentyl…

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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) 3.42 6.37 -6.89 2 4 0 58 305.809 4 ↓
Mid Mid (pH 6-8) 3.42 7.01 -54.66 3 4 1 62 306.817 4 ↓
Mid Mid (pH 6-8) 3.87 4.92 -39.78 2 4 0 65 305.809 4 ↓

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

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