UCSF

ZINC69859382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 29 Yes

Popular Name: 4-methyl-1-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-methyl-1-[[(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) 1.44 10.71 -55.19 1 8 1 69 397.503 4 ↓
Mid Mid (pH 6-8) 1.44 12.75 -130.97 2 8 2 70 398.511 4 ↓
Mid Mid (pH 6-8) 1.44 8.58 -13.4 0 8 0 68 396.495 4 ↓
Lo Low (pH 4.5-6) 1.44 10.61 -56.17 1 8 1 69 397.503 4 ↓

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

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