UCSF

ZINC60021749

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-[(3-aminophenyl)methyl]-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-[(3-aminophenyl)methyl]-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) 3.50 9.01 -11.8 3 6 0 65 441.579 6 ↓
Mid Mid (pH 6-8) 3.50 11.24 -65.69 4 6 1 66 442.587 6 ↓

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

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