| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S,2R)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-N1-propyl-cyclooctane-1,2-diamine (1S,2R)-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 | 9.04 | -122.22 | 3 | 4 | 2 | 39 | 294.487 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 5.84 | -4.04 | 1 | 4 | 0 | 33 | 292.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.06 | -41.46 | 2 | 4 | 1 | 38 | 293.479 | 6 | ↓ |
