UCSF

ZINC04736563

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Substance Information

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

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

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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) 0.90 5.6 -19.06 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 0.90 6.73 -42.27 3 8 1 103 405.529 6 ↓
Mid Mid (pH 6-8) 0.90 5.91 -18.69 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 0.97 3 -19 2 8 0 105 404.521 6 ↓
Lo Low (pH 4.5-6) 0.97 4.39 -46.65 3 8 1 106 405.529 6 ↓
Lo Low (pH 4.5-6) 0.97 4.71 -46.35 3 8 1 106 405.529 6 ↓

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