UCSF

ZINC05357252

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 32 No

Popular Name: 3-[[3-(benzo[1,3]dioxol-5-ylmethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-4-[4-(4-methoxyphen 3-[[3-(benzo[1,3]dioxol-5-ylmeth…

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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) 2.50 9.07 -50.06 0 10 -1 141 451.44 6 ↓
Mid Mid (pH 6-8) 1.91 9.03 -18.4 0 10 0 135 452.448 6 ↓
Mid Mid (pH 6-8) 2.94 8.01 -26.81 1 10 0 138 452.448 5 ↓

Activity (Go SEA)

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