UCSF

ZINC60021908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 33 Yes

Popular Name: (2S)-1-[(1R)-2-[4-(3-hydroxyphenyl)piperazin-1-yl]-1-methyl-ethyl]-2-phenyl-2,3-dihydroquinazolin-4- (2S)-1-[(1R)-2-[4-(3-hydroxyphen…

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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) 4.06 8.52 -13.1 2 6 0 59 442.563 5 ↓
Mid Mid (pH 6-8) 4.06 10.49 -64.02 3 6 1 60 443.571 5 ↓

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

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