| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 21 | Yes |
Popular Name: 2-[4-[(3S)-3-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanamine 2-[4-[(3S)-3-(4-methylpiperazin-…
| 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) | 1.50 | 5.82 | -90.32 | 4 | 4 | 2 | 45 | 293.455 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 3.35 | -47.99 | 3 | 4 | 1 | 43 | 292.447 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 5.37 | -91.24 | 4 | 4 | 2 | 45 | 293.455 | 7 | ↓ |
