UCSF

ZINC52829441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 6-[[[(1R)-1-(2,5-difluorophenyl)ethyl]-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-o 6-[[[(1R)-1-(2,5-difluorophenyl)…

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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) 2.11 5.81 -42.13 1 6 0 71 333.342 4 ↓
Mid Mid (pH 6-8) 1.66 8.46 -52.63 2 6 1 68 334.35 4 ↓
Mid Mid (pH 6-8) 1.66 6.78 -11.05 1 6 0 67 333.342 4 ↓

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

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