UCSF

ZINC67119040

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 20 No

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

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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) 0.94 3.91 -25.44 3 6 0 83 312.782 4 ↓
Hi High (pH 8-9.5) 1.66 4.57 -91.31 1 6 -2 83 310.766 4 ↓
Mid Mid (pH 6-8) 1.66 3.8 -55.21 2 6 -1 80 311.774 4 ↓

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

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