UCSF

ZINC26297887

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 No

Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamid N-[5-(4-allyl-5-thioxo-1H-1,2,4-…

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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) 4.02 11.52 -58.02 1 7 -1 82 414.536 7 ↓
Hi High (pH 8-9.5) 4.20 10.44 -94.73 0 7 -2 88 413.528 7 ↓
Lo Low (pH 4.5-6) 3.29 11.68 -25.66 2 7 0 85 415.544 7 ↓

Activity (Go SEA)

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