UCSF

ZINC62592020

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 22 Yes

Popular Name: N-(3,4-difluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide N-(3,4-difluorophenyl)-3-methyl-…

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Download: MOL2 SDF SMILES Flexibase

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) 1.83 5.63 -55.86 0 6 -1 78 323.304 3 ↓
Lo Low (pH 4.5-6) 1.83 5.11 -23.51 1 6 0 76 324.312 3 ↓

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

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