| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-N1-propyl-cycloheptane-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) | 2.68 | 8.67 | -120.75 | 3 | 4 | 2 | 39 | 280.46 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 5.46 | -4.08 | 1 | 4 | 0 | 33 | 278.444 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 6.69 | -40.61 | 2 | 4 | 1 | 38 | 279.452 | 6 | ↓ |
