| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]cyclooctane-1,2-diamine (1S,2S)-N1-ethyl-N2-methyl-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) | 2.68 | 8.4 | -117.36 | 3 | 4 | 2 | 39 | 280.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.87 | -3.75 | 1 | 4 | 0 | 33 | 278.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 6.62 | -37.97 | 2 | 4 | 1 | 38 | 279.452 | 5 | ↓ |
