| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 18 | No |
Popular Name: 4-[[[(1R)-1,5-dimethylhexyl]amino]methyl]benzene-1,2-diol 4-[[[(1R)-1,5-dimethylhexyl]amin…
| 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) | 3.29 | 4.51 | -44.81 | 4 | 3 | 1 | 57 | 252.378 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 5.45 | -69.62 | 3 | 3 | 0 | 60 | 251.37 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 5.6 | -51.44 | 3 | 3 | 0 | 60 | 251.37 | 7 | ↓ |
