| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 18 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]amino]ethanone 1-(4-methylpiperazin-1-yl)-2-[[(…
| 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) | 0.05 | 2.18 | -40.03 | 2 | 5 | 1 | 49 | 256.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 0.98 | -9.67 | 1 | 5 | 0 | 45 | 255.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 4.54 | -96.37 | 3 | 5 | 2 | 51 | 257.378 | 4 | ↓ |
