| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-N2-methyl-N1-propyl-N2-(4-pyridylmethyl)cyclooctane-1,2-diamine (1S,2R)-N2-methyl-N1-propyl-N2-(…
| 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) | 3.51 | 9.53 | -126.11 | 3 | 3 | 2 | 34 | 291.483 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 8.61 | -36.4 | 2 | 3 | 1 | 29 | 290.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 6.29 | -2.4 | 1 | 3 | 0 | 28 | 289.467 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 7.56 | -40.09 | 2 | 3 | 1 | 33 | 290.475 | 6 | ↓ |
