| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N2-methyl-N2-(4-pyridylmethyl)cyclooctane-1,2-diamine (1R,2S)-N1-ethyl-N2-methyl-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) | 3.01 | 8.75 | -123.34 | 3 | 3 | 2 | 34 | 277.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 5.85 | -3.19 | 1 | 3 | 0 | 28 | 275.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.66 | -39.96 | 2 | 3 | 1 | 33 | 276.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 7.88 | -42.17 | 2 | 3 | 1 | 29 | 276.448 | 5 | ↓ |
