| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[4-(4-pyridylmethyl)piperazin-1-yl]pentan-1-amine (3S)-3-[4-(4-pyridylmethyl)piper…
| 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) | 0.28 | 3.7 | -115.9 | 4 | 4 | 2 | 48 | 264.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 1.5 | -3.67 | 2 | 4 | 0 | 45 | 262.401 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 4.14 | -101.17 | 4 | 4 | 2 | 48 | 264.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 1.88 | -44.84 | 3 | 4 | 1 | 47 | 263.409 | 6 | ↓ |
