UCSF

ZINC04736567

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Substance Information

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

Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-(phenylcarbamoylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetam 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) 1.25 6.19 -26.17 2 8 0 101 404.521 7 ↓
Mid Mid (pH 6-8) 1.25 7.31 -44.85 3 8 1 103 405.529 7 ↓
Mid Mid (pH 6-8) 1.25 6.48 -25.99 2 8 0 101 404.521 7 ↓
Mid Mid (pH 6-8) 1.43 4.24 -20.6 2 8 0 105 404.521 7 ↓

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Rings

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