UCSF

ZINC52908505

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 Yes

Popular Name: 2-[[cyclopentyl(ethyl)amino]methyl]-3H-quinazolin-4-one 2-[[cyclopentyl(ethyl)amino]meth…

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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) 2.67 6.31 -7.79 1 4 0 49 271.364 4 ↓
Mid Mid (pH 6-8) 3.13 5.84 -42.42 1 4 0 53 271.364 4 ↓
Mid Mid (pH 6-8) 2.67 8.29 -42.54 2 4 1 50 272.372 4 ↓

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