| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1,N2-dimethyl-N2-(4-pyridylmethyl)cyclooctane-1,2-diamine (1S,2S)-N1,N2-dimethyl-N2-(4-pyr…
| 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) | 2.64 | 8.06 | -121.98 | 3 | 3 | 2 | 34 | 263.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 6.33 | -36.54 | 2 | 3 | 1 | 33 | 262.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.67 | -2.71 | 1 | 3 | 0 | 28 | 261.413 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 7.79 | -37.14 | 2 | 3 | 1 | 29 | 262.421 | 4 | ↓ |
