| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 26 | No |
Popular Name: 4-[(4-cyanophenyl)methyl]-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide 4-[(4-cyanophenyl)methyl]-N-(2,3…
| 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) | 3.44 | 11.09 | -16.17 | 1 | 4 | 0 | 42 | 364.518 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 13.31 | -68.68 | 2 | 4 | 1 | 43 | 365.526 | 5 | ↓ |
