UCSF

ZINC67050247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 23 No

Popular Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(1H-benzimidazol-2-ylmethylsul…

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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) 0.15 6.29 -23.43 3 7 0 91 348.457 6 ↓
Mid Mid (pH 6-8) 0.88 6.05 -51.49 2 7 -1 88 347.449 6 ↓
Lo Low (pH 4.5-6) 0.15 6.77 -45.78 4 7 1 93 349.465 6 ↓

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

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