UCSF

ZINC65552124

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 23 No

Popular Name: (5E)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one (5E)-5-[[1-[(2-chlorophenyl)meth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.33 6.57 -42.7 0 4 -1 54 362.887 3 ↓
Lo Low (pH 4.5-6) 2.87 8.62 -15.45 1 4 0 51 363.895 3 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.