UCSF

ZINC33874677

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 19 Yes

Popular Name: 5-(3,4-Diossimetilenefenil)-3-carbossimetiltio-4H-(1,2,4-triazolo) [Italian]; Acetic acid, ((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-; BRN 5348455; LS-11029 5-(3,4-Diossimetilenefenil)-3-ca…

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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) 1.56 5.09 -41.88 1 7 -1 100 278.269 4 ↓
Hi High (pH 8-9.5) 1.56 4.89 -100.87 0 7 -2 98 277.261 4 ↓

Activity (Go SEA)

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