UCSF

ZINC53316437

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 21 Yes

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

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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) 2.94 6.9 -7.91 1 4 0 49 283.375 5 ↓
Mid Mid (pH 6-8) 2.94 9.32 -42.69 2 4 1 50 284.383 5 ↓
Mid Mid (pH 6-8) 3.39 6.38 -45.05 1 4 0 53 283.375 5 ↓

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

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