| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 16 | Yes |
Popular Name: (3S)-3-[3-[(2S)-2-methyl-1-piperidyl]propylamino]butanenitrile (3S)-3-[3-[(2S)-2-methyl-1-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) | 1.42 | 6.58 | -35.55 | 2 | 3 | 1 | 40 | 224.372 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 7.64 | -106.59 | 3 | 3 | 2 | 45 | 225.38 | 6 | ↓ |
