| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3R,4S)-N3-(1-ethyl-4-piperidyl)-N3,N4-dimethyl-heptane-3,4-diamine (3R,4S)-N3-(1-ethyl-4-piperidyl)…
| 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) | 3.21 | 6.35 | -91.03 | 3 | 3 | 2 | 24 | 271.493 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 6.76 | -106.33 | 3 | 3 | 2 | 24 | 271.493 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 5.3 | -34.05 | 2 | 3 | 1 | 20 | 270.485 | 8 | ↓ |
