| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 19 | Yes |
Popular Name: 4-[(1S)-2-(4-ethylpiperazin-1-yl)-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-(4-ethylpiperazin-1-yl…
| 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) | 1.18 | 4.68 | -39.79 | 2 | 4 | 1 | 52 | 260.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 2.4 | -7.23 | 1 | 4 | 0 | 50 | 259.353 | 4 | ↓ |
