| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: 4-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]benzene-1,3-diol 4-[[[(1S)-1-(3-chlorophenyl)ethy…
| 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) | 3.55 | 3.83 | -45.38 | 4 | 3 | 1 | 57 | 278.759 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 2.5 | -9.63 | 3 | 3 | 0 | 52 | 277.751 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 4.62 | -33.46 | 3 | 3 | 0 | 60 | 277.751 | 4 | ↓ |
