UCSF

ZINC60022565

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Substance Information

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

Popular Name: (2R)-1-[3-[4-(2-aminophenyl)piperazin-1-yl]propyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[3-[4-(2-aminophenyl)pipe…

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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) 3.94 11.56 -59.48 4 6 1 66 442.587 6 ↓
Mid Mid (pH 6-8) 3.94 9.36 -12.06 3 6 0 65 441.579 6 ↓
Lo Low (pH 4.5-6) 3.94 11.4 -139.33 5 6 2 68 443.595 6 ↓

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

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