UCSF

ZINC16874741

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 25 No

Popular Name: N-isopropyl-2-[methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]acetamide N-isopropyl-2-[methyl-[[4-propyl…

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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) 1.52 9.94 -44.51 2 7 1 69 363.511 8 ↓
Mid Mid (pH 6-8) 1.52 7.5 -17.38 1 7 0 68 362.503 8 ↓

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

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