UCSF

ZINC36358801

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Substance Information

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

Popular Name: (4S)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-(2,3,4-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]py (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) 2.48 1.68 -51.49 1 7 -1 99 374.302 2 ↓
Ref Reference (pH 7) 2.29 4.43 -47.13 1 7 -1 96 374.302 2 ↓
Lo Low (pH 4.5-6) 2.02 3.56 -13.97 2 7 0 96 375.31 2 ↓
Lo Low (pH 4.5-6) 1.84 6.24 -13.95 2 7 0 93 375.31 2 ↓

Activity (Go SEA)

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