| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-(2-dimethylaminoethyl)-N1-propyl-1-(4-pyridyl)butane-1,2-diamine (1S,2R)-N1-(2-dimethylaminoethyl…
| 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) | 1.29 | 4.91 | -103.88 | 4 | 4 | 2 | 48 | 280.46 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.43 | -45.25 | 3 | 4 | 1 | 47 | 279.452 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 5.36 | -182.81 | 5 | 4 | 3 | 49 | 281.468 | 9 | ↓ |
