| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-N1-methyl-N1-pentyl-1-(2-pyridyl)propane-1,2-diamine (1S,2R)-N1-methyl-N1-pentyl-1-(2…
| 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) | 1.90 | 6.39 | -28.86 | 3 | 3 | 1 | 43 | 236.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 4.89 | -2.76 | 2 | 3 | 0 | 42 | 235.375 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 6.7 | -110.67 | 4 | 3 | 2 | 45 | 237.391 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 5.16 | -40.81 | 3 | 3 | 1 | 44 | 236.383 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 4.77 | -98.57 | 4 | 3 | 2 | 45 | 237.391 | 7 | ↓ |
