| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2010 | 16 | Yes |
Popular Name: (3S)-N3-(1-ethyl-4-piperidyl)-N3-methyl-pentane-1,3-diamine (3S)-N3-(1-ethyl-4-piperidyl)-N3…
| 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) | 1.08 | 4.06 | -96.55 | 4 | 3 | 2 | 35 | 229.412 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 3.13 | -29.7 | 3 | 3 | 1 | 34 | 228.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 5.37 | -93.54 | 4 | 3 | 2 | 35 | 229.412 | 6 | ↓ |
