UCSF

ZINC31819236

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 26 Yes

Popular Name: (4S)-4-(5-chloro-2-fluoro-phenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3,4-b (4S)-4-(5-chloro-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) 2.90 2.08 -51.08 1 7 -1 99 372.767 2 ↓
Ref Reference (pH 7) 2.72 4.83 -46.16 1 7 -1 96 372.767 2 ↓
Lo Low (pH 4.5-6) 2.44 3.97 -11.28 2 7 0 96 373.775 2 ↓
Lo Low (pH 4.5-6) 2.26 6.65 -10.77 2 7 0 93 373.775 2 ↓

Activity (Go SEA)

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