UCSF

ZINC62592017

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Substance Information

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

Popular Name: N-(3,5-dimethylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide N-(3,5-dimethylphenyl)-3-methyl[…

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CAS Numbers: 1291486-94-6 , [1291486-94-6]

Other Names:

MFCD18804115

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) 2.40 6.84 -68.31 0 6 -1 78 315.378 3 ↓
Mid Mid (pH 6-8) 2.40 6.32 -23.77 1 6 0 76 316.386 3 ↓

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

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