| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 20 | Yes |
Popular Name: 4-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]benzene-1,3-diol 4-[[[(1R)-1-(3,4-dichlorophenyl)…
| 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) | 4.18 | 4.32 | -48.01 | 4 | 3 | 1 | 57 | 313.204 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 2.99 | -10.83 | 3 | 3 | 0 | 52 | 312.196 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 5.11 | -38.23 | 3 | 3 | 0 | 60 | 312.196 | 4 | ↓ |
