| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2008 | 21 | Yes |
Popular Name: 2-bromo-4-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]-6-methoxy-phenol 2-bromo-4-[[[(1S)-1-(3-chlorophe…
| 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) | 4.41 | 7.47 | -52.2 | 3 | 3 | 1 | 46 | 371.682 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 6.18 | -7.05 | 2 | 3 | 0 | 41 | 370.674 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 6.95 | -45.55 | 1 | 3 | -1 | 44 | 369.666 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 8.23 | -65.53 | 2 | 3 | 0 | 49 | 370.674 | 5 | ↓ |
