UCSF

ZINC66639284

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 21 No

Popular Name: 2-hydroxy-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-methyl-benzamide 2-hydroxy-N-[(4-isopropyl-5-sulf…

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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) 1.80 5.91 -14.21 3 6 0 83 306.391 4 ↓
Mid Mid (pH 6-8) 2.52 5.72 -44.39 2 6 -1 80 305.383 4 ↓

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

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