| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (3S,4R)-N3-(1-ethyl-4-piperidyl)-N3-methyl-N4-propyl-heptane-3,4-diamine (3S,4R)-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) | 4.09 | 8.62 | -83.95 | 3 | 3 | 2 | 24 | 299.547 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 8.27 | -106.43 | 3 | 3 | 2 | 24 | 299.547 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 7.75 | -33.4 | 2 | 3 | 1 | 20 | 298.539 | 10 | ↓ |
