UCSF

ZINC36357412

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 33 Yes

Popular Name: 2-[4-[(4R)-3-methyl-6-oxo-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]phe 2-[4-[(4R)-3-methyl-6-oxo-1-(6-o…

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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) 2.69 2.27 -58.72 1 10 -1 145 438.427 4 ↓
Ref Reference (pH 7) 2.51 5.02 -53.62 1 10 -1 142 438.427 4 ↓
Lo Low (pH 4.5-6) 2.23 4.16 -19.08 2 10 0 142 439.435 4 ↓
Lo Low (pH 4.5-6) 2.05 6.84 -18.28 2 10 0 139 439.435 4 ↓

Activity (Go SEA)

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