UCSF

ZINC52827975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: 1-methyl-6-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[(4R)-4-methyl-3,4-d…

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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) 1.73 7.87 -13.14 1 6 0 67 309.373 2 ↓
Hi High (pH 8-9.5) 2.19 5.65 -45.08 0 6 -1 70 308.365 2 ↓
Lo Low (pH 4.5-6) 1.73 8.47 -47.39 2 6 1 68 310.381 2 ↓

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

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