UCSF

ZINC52838257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

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

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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) 1.88 9.66 -53.03 2 6 1 68 342.398 5 ↓
Hi High (pH 8-9.5) 1.88 7.19 -12.45 1 6 0 67 341.39 5 ↓
Mid Mid (pH 6-8) 2.34 6.82 -40.38 1 6 0 71 341.39 5 ↓

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

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