UCSF

ZINC04736565

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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-[[5-[(2-fluorophenyl)carbamoylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulf 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) 0.98 5.39 -24.13 2 8 0 101 408.484 6 ↓
Mid Mid (pH 6-8) 0.99 6.53 -43.66 3 8 1 103 409.492 6 ↓
Mid Mid (pH 6-8) 1.17 3.25 -24.99 2 8 0 105 408.484 6 ↓
Mid Mid (pH 6-8) 0.98 5.72 -23.75 2 8 0 101 408.484 6 ↓

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Rings

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