| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 19 | Yes |
Popular Name: 1-(3-pyridylmethyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine 1-(3-pyridylmethyl)-4-[[(2S)-pyr…
| 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) | 0.57 | 5.17 | -99.31 | 3 | 4 | 2 | 37 | 262.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 5.37 | -122.12 | 3 | 4 | 2 | 37 | 262.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 2.85 | -38.08 | 2 | 4 | 1 | 36 | 261.393 | 4 | ↓ |
