UCSF

ZINC62591998

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 Yes

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

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CAS Numbers: 1291487-11-0 , [1291487-11-0]

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) 2.00 6.17 -66.86 0 6 -1 78 301.351 3 ↓
Lo Low (pH 4.5-6) 2.00 6.17 -21.64 1 6 0 76 302.359 3 ↓

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

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