UCSF

ZINC60022050

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 34 Yes

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

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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) 3.42 9.82 -51.91 4 6 1 66 456.614 7 ↓
Hi High (pH 8-9.5) 3.42 7.56 -11.62 3 6 0 65 455.606 7 ↓
Mid Mid (pH 6-8) 3.42 9.83 -58.66 4 6 1 66 456.614 7 ↓

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

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