| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: 4-[[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]methyl]benzene-1,3-diol 4-[[[(1S)-1-(1,3-benzodioxol-5-y…
| 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 | 1.9 | -49.02 | 4 | 5 | 1 | 76 | 288.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 0.76 | -8.42 | 3 | 5 | 0 | 71 | 287.315 | 4 | ↓ |
