| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 27 | No |
Popular Name: 4-[(4-cyanophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide 4-[(4-cyanophenyl)methyl]-N-(4-e…
| 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) | 3.07 | 10.01 | -16.52 | 1 | 5 | 0 | 52 | 380.517 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 12.21 | -68.14 | 2 | 5 | 1 | 53 | 381.525 | 7 | ↓ |
