| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N2-ethyl-N1-propyl-N2-(4-pyridylmethyl)cycloheptane-1,2-diamine (1R,2S)-N2-ethyl-N1-propyl-N2-(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) | 3.38 | 9.52 | -122.36 | 3 | 3 | 2 | 34 | 291.483 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.72 | -38.81 | 2 | 3 | 1 | 33 | 290.475 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 8.13 | -35.84 | 2 | 3 | 1 | 29 | 290.475 | 7 | ↓ |
