| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-N1-propyl-cyclooctane-1,2-diamine (1R,2S)-N2-methyl-N2-[(1-methylp…
| 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) | 3.18 | 9.02 | -118.04 | 3 | 4 | 2 | 39 | 294.487 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.1 | -4.57 | 1 | 4 | 0 | 33 | 292.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 6.64 | -37.66 | 2 | 4 | 1 | 38 | 293.479 | 6 | ↓ |
