UCSF

ZINC69773565

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 No

Popular Name: 6-[(2S)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[(2S)-2-methyl-4-(2-methylsulf…

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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) 0.10 4.24 -23.24 0 8 0 84 324.41 4 ↓
Lo Low (pH 4.5-6) 0.10 6.46 -71.73 1 8 1 85 325.418 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.