UCSF

ZINC67119164

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 25 No

Popular Name: N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-hydroxy-5-(methanesulfonamido)benzamide N-[2-(4-ethyl-5-sulfanyl-1,2,4-t…

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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) 0.62 2.41 -49.41 3 9 -1 131 384.463 7 ↓
Mid Mid (pH 6-8) 0.62 2.25 -32.5 4 9 0 129 385.471 7 ↓
Mid Mid (pH 6-8) 1.35 2.18 -91.08 2 9 -2 128 383.455 7 ↓

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

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