UCSF

ZINC60022108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 36 Yes

Popular Name: (2S)-6-amino-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-phenyl-1-[2-(4-ph…

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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) 4.62 13.24 -61.12 4 6 1 72 485.652 8 ↓
Hi High (pH 8-9.5) 4.62 11.01 -11.67 3 6 0 71 484.644 8 ↓

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

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