| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-methyl-N1-pentyl-1-(3-pyridyl)butane-1,2-diamine (1R,2R)-N1-methyl-N1-pentyl-1-(3…
| 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) | 2.37 | 5.34 | -43.61 | 3 | 3 | 1 | 44 | 250.41 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 4.56 | -3.72 | 2 | 3 | 0 | 42 | 249.402 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 6.83 | -117.89 | 4 | 3 | 2 | 45 | 251.418 | 8 | ↓ |
