UCSF

ZINC69796972

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 29 Yes

Popular Name: 2-methyl-4-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]pyrazolo[1,5-a]quinazolin-5-one 2-methyl-4-[[(3R)-3-(morpholinom…

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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) 2.50 9.15 -43.2 1 7 1 56 396.515 4 ↓
Mid Mid (pH 6-8) 2.50 8.98 -44.35 1 7 1 56 396.515 4 ↓
Mid Mid (pH 6-8) 2.50 6.99 -11.67 0 7 0 55 395.507 4 ↓
Lo Low (pH 4.5-6) 2.50 11.14 -110.37 2 7 2 57 397.523 4 ↓

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

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