UCSF

ZINC05357467

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Substance Information

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

Popular Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-4-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)meth 3-[4-(3-chlorophenyl)piperazin-1…

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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) 2.52 9.05 -50.72 0 10 -1 141 451.44 6 ↓
Mid Mid (pH 6-8) 2.97 0.25 -28.76 1 10 0 138 452.448 5 ↓
Mid Mid (pH 6-8) 1.94 0.47 -20.69 0 10 0 135 452.448 6 ↓

Activity (Go SEA)

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