UCSF

ZINC31820041

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4R)-4-(3,4-dimethylphenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyrid (4R)-4-(3,4-dimethylphenyl)-3-me…

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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) 2.96 2.72 -51.13 1 7 -1 99 348.386 2 ↓
Ref Reference (pH 7) 2.77 5.46 -46.14 1 7 -1 96 348.386 2 ↓
Lo Low (pH 4.5-6) 2.50 4.6 -10.93 2 7 0 96 349.394 2 ↓
Lo Low (pH 4.5-6) 2.31 7.29 -10.37 2 7 0 93 349.394 2 ↓

Activity (Go SEA)

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