| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | No |
Popular Name: 4-[[[(1R)-1,4-dimethylpentyl]amino]methyl]benzene-1,2-diol 4-[[[(1R)-1,4-dimethylpentyl]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) | 2.78 | 3.73 | -44.52 | 4 | 3 | 1 | 57 | 238.351 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 4.67 | -69.48 | 3 | 3 | 0 | 60 | 237.343 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 4.83 | -51.42 | 3 | 3 | 0 | 60 | 237.343 | 6 | ↓ |
