UCSF

ZINC60022439

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 33 No

Popular Name: 4-[6-amino-1-hydroxy-4-[2-(4-phenyl-1-piperidyl)ethyl]quinazolin-2-ylidene]cyclohexa-2,5-dien-1-one 4-[6-amino-1-hydroxy-4-[2-(4-phe…

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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) 4.43 12.26 -79.24 5 6 1 88 441.555 3 ↓
Hi High (pH 8-9.5) 4.43 10.83 -56.71 3 6 -1 90 439.539 3 ↓
Mid Mid (pH 6-8) 4.43 13.08 -88.14 4 6 0 91 440.547 3 ↓

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

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