UCSF

ZINC40287113

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 28 Yes

Popular Name: (4S)-4-(3-chloro-4-hydroxy-phenyl)-3-methyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)-5,7-dihydro-4H- (4S)-4-(3-chloro-4-hydroxy-pheny…

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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) 2.25 5.59 -16.95 2 9 0 114 395.81 2 ↓
Ref Reference (pH 7) 2.06 8.23 -17.53 2 9 0 110 395.81 2 ↓
Hi High (pH 8-9.5) 2.25 6.36 -52.86 1 9 -1 117 394.802 2 ↓
Hi High (pH 8-9.5) 2.06 8.99 -53.97 1 9 -1 113 394.802 2 ↓

Activity (Go SEA)

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