| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 26 | Yes |
Popular Name: (4-methylpiperazin-1-yl)-[6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]-3-pyridyl]methanone (4-methylpiperazin-1-yl)-[6-[(2S…
| 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) | 0.75 | 6.93 | -11.59 | 0 | 6 | 0 | 53 | 351.454 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.75 | 9.28 | -46.33 | 1 | 6 | 1 | 54 | 352.462 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.75 | 9.71 | -101.45 | 2 | 6 | 2 | 55 | 353.47 | 3 | ↓ |
