UCSF

ZINC36358159

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 Yes

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

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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) 1.80 3.19 -68.47 1 9 -1 121 401.406 2 ↓
Ref Reference (pH 7) 1.61 5.07 -49.82 1 9 -1 118 401.406 2 ↓
Lo Low (pH 4.5-6) 1.34 5.07 -21.01 2 9 0 118 402.414 2 ↓
Lo Low (pH 4.5-6) 1.16 6.89 -15.24 2 9 0 115 402.414 2 ↓

Activity (Go SEA)

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