UCSF

ZINC53316623

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 25 Yes

Popular Name: 2-[[allyl(cyclopentyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one 2-[[allyl(cyclopentyl)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) 2.56 8.57 -47.26 2 6 1 69 344.435 7 ↓
Hi High (pH 8-9.5) 3.02 5.6 -42.19 1 6 0 72 343.427 7 ↓
Mid Mid (pH 6-8) 2.56 6.14 -9.67 1 6 0 67 343.427 7 ↓

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

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