| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-2-(4-pyridyl)ethanamine (2R)-2-[4-[(1S)-1-methylpropyl]p…
| 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) | 0.54 | 3.91 | -106.85 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 1.98 | -49.92 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 1.84 | -3.38 | 2 | 4 | 0 | 45 | 262.401 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
