UCSF

ZINC36365325

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 Yes

Popular Name: (4S)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-quinoxalin-6-yl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6- (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) 1.90 0.18 -59.04 1 9 -1 125 372.368 2 ↓
Ref Reference (pH 7) 1.72 2.89 -55.96 1 9 -1 122 372.368 2 ↓
Lo Low (pH 4.5-6) 1.45 2.06 -17.83 2 9 0 122 373.376 2 ↓
Lo Low (pH 4.5-6) 1.26 4.71 -18.36 2 9 0 118 373.376 2 ↓

Activity (Go SEA)

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