| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-1-yl]pentan-1-amine (3S)-3-[4-[[(2S)-tetrahydropyran…
| 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) | 1.05 | 3.7 | -111.25 | 4 | 4 | 2 | 45 | 271.449 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.59 | -2.38 | 2 | 4 | 0 | 42 | 269.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.97 | -44.03 | 3 | 4 | 1 | 43 | 270.441 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 4.23 | -93.12 | 4 | 4 | 2 | 45 | 271.449 | 6 | ↓ |
