| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 16 | Yes |
Popular Name: 2-[(1S)-1-(2-dimethylaminoethylamino)ethyl]benzene-1,4-diol 2-[(1S)-1-(2-dimethylaminoethyla…
| 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) | 1.52 | -0.78 | -39.07 | 4 | 4 | 1 | 60 | 225.312 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | -1.95 | -5.1 | 3 | 4 | 0 | 56 | 224.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 0.48 | -39.48 | 4 | 4 | 1 | 57 | 225.312 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 1.63 | -115.56 | 5 | 4 | 2 | 61 | 226.32 | 5 | ↓ |
