UCSF

ZINC62592012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 23 Yes

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

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Other Names:

MFCD18804112

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) 3.06 7.55 -65.74 0 6 -1 78 329.405 5 ↓
Mid Mid (pH 6-8) 3.06 7.04 -22.46 1 6 0 76 330.413 5 ↓

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

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