UCSF

ZINC21661162

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 27 Yes

Popular Name: (4R)-1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(3-pyridyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin- (4R)-1-(6-bromo-1,3-benzothiazol…

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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) 3.34 8.99 -12.73 1 6 0 73 440.326 2 ↓
Lo Low (pH 4.5-6) 3.34 9.44 -50 2 6 1 74 441.334 2 ↓

Activity (Go SEA)

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