UCSF

ZINC60022199

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 31 Yes

Popular Name: (2R)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-pyridyl)-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-phenylpiperazin-1-y…

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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) 2.94 8.04 -13.51 1 6 0 52 413.525 5 ↓
Mid Mid (pH 6-8) 2.94 10.26 -65.22 2 6 1 53 414.533 5 ↓
Lo Low (pH 4.5-6) 2.94 10.72 -124.4 3 6 2 54 415.541 5 ↓

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

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