UCSF

ZINC36353661

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Substance Information

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

Popular Name: (4R)-4-(3-chloro-2-fluoro-phenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3,4-b (4R)-4-(3-chloro-2-fluoro-phenyl…

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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) 2.88 2.3 -49.57 1 7 -1 99 372.767 2 ↓
Ref Reference (pH 7) 2.69 5 -45.25 1 7 -1 96 372.767 2 ↓
Lo Low (pH 4.5-6) 2.42 4.18 -11.37 2 7 0 96 373.775 2 ↓
Lo Low (pH 4.5-6) 2.23 6.81 -10.9 2 7 0 93 373.775 2 ↓

Activity (Go SEA)

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