| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 18 | Yes |
Popular Name: (1S,2S)-N1-methyl-N1-(4-pyridylmethyl)cyclooctane-1,2-diamine (1S,2S)-N1-methyl-N1-(4-pyridylm…
| 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) | 1.73 | 6.23 | -130.84 | 4 | 3 | 2 | 45 | 249.402 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 6.39 | -36.44 | 3 | 3 | 1 | 43 | 248.394 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 4.68 | -45.27 | 3 | 3 | 1 | 44 | 248.394 | 3 | ↓ |
