UCSF

ZINC67078276

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 26 No

Popular Name: N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acet N-[2-(4-ethyl-5-sulfanyl-1,2,4-t…

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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) 1.00 9.68 -31.41 2 7 0 81 390.538 8 ↓
Mid Mid (pH 6-8) 1.72 9.46 -61.22 1 7 -1 78 389.53 8 ↓
Lo Low (pH 4.5-6) 1.00 10.12 -48.58 3 7 1 82 391.546 8 ↓

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

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