UCSF

ZINC60022770

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 37 Yes

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

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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) 5.57 14.66 -51.83 4 6 1 72 499.679 9 ↓
Mid Mid (pH 6-8) 5.57 12.52 -10.59 3 6 0 71 498.671 9 ↓

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

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