| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 21 | Yes |
Popular Name: (2S)-3-methyl-2-(4-methylpiperazin-1-yl)-N-[(1R)-1-(3-pyridyl)ethyl]butan-1-amine (2S)-3-methyl-2-(4-methylpiperaz…
| 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) | 1.85 | 6.77 | -96.74 | 3 | 4 | 2 | 37 | 292.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.29 | -32.59 | 2 | 4 | 1 | 33 | 291.463 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 7.22 | -173.52 | 4 | 4 | 3 | 38 | 293.479 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 7 | -81.4 | 3 | 4 | 2 | 34 | 292.471 | 6 | ↓ |
