| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 18 | Yes |
Popular Name: 4-[(1R)-2-amino-1-(4-methylpiperazin-1-yl)ethyl]-2-bromo-phenol 4-[(1R)-2-amino-1-(4-methylpiper…
| 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) | 1.14 | 2.36 | -121 | 5 | 4 | 2 | 56 | 316.243 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 0.51 | -72.43 | 3 | 4 | 0 | 57 | 314.227 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | -0.11 | -49.8 | 4 | 4 | 1 | 54 | 315.235 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 2.98 | -132.36 | 4 | 4 | 1 | 58 | 315.235 | 3 | ↓ |
