UCSF

ZINC36358008

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 Yes

Popular Name: (4S)-4-(4-bromo-2-fluoro-phenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3,4-b] (4S)-4-(4-bromo-2-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) 3.03 2.19 -49.89 1 7 -1 99 417.218 2 ↓
Ref Reference (pH 7) 2.85 4.93 -45.28 1 7 -1 96 417.218 2 ↓
Lo Low (pH 4.5-6) 2.58 4.07 -11.24 2 7 0 96 418.226 2 ↓
Lo Low (pH 4.5-6) 2.39 6.75 -10.92 2 7 0 93 418.226 2 ↓

Activity (Go SEA)

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