| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 15 | No |
Popular Name: 4-[[[(1R)-1,2-dimethylpropyl]amino]methyl]benzene-1,2-diol 4-[[[(1R)-1,2-dimethylpropyl]ami…
| 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) | 1.98 | 2.04 | -43.28 | 4 | 3 | 1 | 57 | 210.297 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 3.1 | -67.98 | 3 | 3 | 0 | 60 | 209.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 3.25 | -50.01 | 3 | 3 | 0 | 60 | 209.289 | 4 | ↓ |
