| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (3R,4S)-N3-ethyl-N4-propyl-N3-(4-pyridylmethyl)heptane-3,4-diamine (3R,4S)-N3-ethyl-N4-propyl-N3-(4…
| 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) | 3.78 | 9.39 | -117.23 | 3 | 3 | 2 | 34 | 293.499 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 8.24 | -35.91 | 2 | 3 | 1 | 29 | 292.491 | 11 | ↓ |
