UCSF

ZINC60021645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 Yes

Popular Name: 2,2-dimethyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-3H-quinazolin-4-one 2,2-dimethyl-1-[2-(4-phenyl-1-pi…

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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) 3.23 10.93 -55.61 2 4 1 37 364.513 4 ↓
Hi High (pH 8-9.5) 3.23 8.69 -10.3 1 4 0 36 363.505 4 ↓

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

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