UCSF

ZINC67119097

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 24 No

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

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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) 0.96 6.1 -27.11 3 9 0 129 351.388 6 ↓
Hi High (pH 8-9.5) 1.68 7.03 -98.48 1 9 -2 129 349.372 6 ↓
Mid Mid (pH 6-8) 0.96 7.09 -61 2 9 -1 132 350.38 6 ↓

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

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