UCSF

ZINC04736570

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 No

Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-(o-tolylcarbamoylmethyl)-1,2,4-triazol-3-yl]sulfanyl]aceta N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 1.65 7.02 -25.51 2 8 0 101 418.548 7 ↓
Mid Mid (pH 6-8) 1.65 8.15 -44.37 3 8 1 103 419.556 7 ↓
Mid Mid (pH 6-8) 1.83 5.25 -19.93 2 8 0 105 418.548 7 ↓
Mid Mid (pH 6-8) 1.65 7.38 -25.37 2 8 0 101 418.548 7 ↓

Activity (Go SEA)

Rings

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