UCSF

ZINC04736561

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 27 No

Popular Name: N-[1-[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide N-[1-[5-(4,5-dihydrothiazol-2-yl…

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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) 1.04 5.6 -17.68 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.04 5.91 -17.27 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.04 6.73 -40.58 3 8 1 103 405.529 6 ↓
Mid Mid (pH 6-8) 1.11 2.91 -22.38 2 8 0 105 404.521 6 ↓
Lo Low (pH 4.5-6) 1.11 4.22 -42.97 3 8 1 106 405.529 6 ↓
Lo Low (pH 4.5-6) 1.11 4.54 -42.68 3 8 1 106 405.529 6 ↓

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