UCSF

ZINC25515462

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 No

Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(difluoromethylsulfanyl)benza 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) 4.22 10.9 -52.08 1 6 -1 73 438.53 7 ↓
Hi High (pH 8-9.5) 4.28 9.99 -93.91 0 6 -2 79 437.522 7 ↓
Lo Low (pH 4.5-6) 3.49 11.06 -20.15 2 6 0 76 439.538 7 ↓

Activity (Go SEA)

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