UCSF

ZINC20732409

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 28 Yes

Popular Name: (4R)-4-(2-chloro-6-fluoro-phenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6 (4R)-4-(2-chloro-6-fluoro-phenyl…

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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) 2.17 7.72 -19.66 2 8 0 105 397.801 2 ↓
Ref Reference (pH 7) 1.99 10.47 -18.36 2 8 0 101 397.801 2 ↓
Hi High (pH 8-9.5) 2.17 7.22 -52.31 1 8 -1 103 396.793 2 ↓
Hi High (pH 8-9.5) 1.99 9.97 -47.15 1 8 -1 100 396.793 2 ↓
Mid Mid (pH 6-8) 2.17 7.69 -18.06 2 8 0 105 397.801 2 ↓
Mid Mid (pH 6-8) 1.99 10.44 -17.77 2 8 0 101 397.801 2 ↓

Activity (Go SEA)

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