| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: 4-chloro-2-[[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]methyl]phenol 4-chloro-2-[[[(1S)-1-(2,5-dimeth…
| 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) | 4.87 | 7.8 | -40.65 | 3 | 2 | 1 | 37 | 290.814 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 6.61 | -4.49 | 2 | 2 | 0 | 32 | 289.806 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 8.55 | -27.96 | 2 | 2 | 0 | 40 | 289.806 | 4 | ↓ |
