| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2009 | 28 | No |
Popular Name: 3-[[8-[(2,3-dihydroxyphenyl)methylamino]octylamino]methyl]benzene-1,2-diol 3-[[8-[(2,3-dihydroxyphenyl)meth…
| 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) | 3.71 | 3.26 | -92.87 | 8 | 6 | 2 | 114 | 390.524 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 4.18 | -99.32 | 7 | 6 | 1 | 117 | 389.516 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 4.17 | -76.97 | 7 | 6 | 1 | 117 | 389.516 | 13 | ↓ |
