UCSF

ZINC31817867

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 25 Yes

Popular Name: (4S)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-(p-tolyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-3-methyl-1-(6-oxo-1H-pyrida…

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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) 2.58 2.44 -56.09 1 7 -1 99 334.359 2 ↓
Ref Reference (pH 7) 2.39 5.14 -53.22 1 7 -1 96 334.359 2 ↓
Lo Low (pH 4.5-6) 2.12 4.31 -13.74 2 7 0 96 335.367 2 ↓
Lo Low (pH 4.5-6) 1.94 6.96 -14.62 2 7 0 93 335.367 2 ↓

Activity (Go SEA)

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