In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2011 | 16 | No |
Popular Name: (5Z)-5-[[1-(2-chloroethyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-5-[[1-(2-chloroethyl)pyrazo…
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) | 1.26 | 2.38 | -48.5 | 0 | 4 | -1 | 54 | 272.762 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 4.47 | -13.47 | 1 | 4 | 0 | 51 | 273.77 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.