UCSF

ZINC42155237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 Yes

Popular Name: 1-[3-(1-ethylimidazol-2-yl)sulfanylpropyl]-1,2,4-triazole 1-[3-(1-ethylimidazol-2-yl)sulfa…

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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) 0.71 9.08 -12.1 0 5 0 49 237.332 6 ↓
Lo Low (pH 4.5-6) 0.71 9.57 -36.8 1 5 1 50 238.34 6 ↓

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

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