| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[4-(3-pyridylmethyl)piperazin-1-yl]pentan-1-amine (3S)-3-[4-(3-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) | 0.34 | 3.68 | -116.13 | 4 | 4 | 2 | 48 | 264.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | 1.48 | -3.83 | 2 | 4 | 0 | 45 | 262.401 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 4.11 | -99.87 | 4 | 4 | 2 | 48 | 264.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 1.86 | -45.36 | 3 | 4 | 1 | 47 | 263.409 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.34 | 4.15 | -171.82 | 5 | 4 | 3 | 49 | 265.425 | 6 | ↓ |
