| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 17 | Yes |
Popular Name: (1S,3R)-3-ethyl-N-methyl-1-(4-pyridyl)heptan-1-amine (1S,3R)-3-ethyl-N-methyl-1-(4-py…
| 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) | 3.13 | 7.92 | -45.03 | 2 | 2 | 1 | 29 | 235.395 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 6.93 | -2.94 | 1 | 2 | 0 | 25 | 234.387 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 8.38 | -102.12 | 3 | 2 | 2 | 31 | 236.403 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 7.39 | -32.7 | 2 | 2 | 1 | 26 | 235.395 | 8 | ↓ |
