| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 18 | Yes |
Popular Name: (2S)-N-(3-cyanophenyl)-2-methyl-piperazine-1-carboxamide (2S)-N-(3-cyanophenyl)-2-methyl-…
| 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) | 1.05 | 4.81 | -53.17 | 3 | 5 | 1 | 73 | 245.306 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 3.47 | -8.5 | 2 | 5 | 0 | 68 | 244.298 | 1 | ↓ |
