| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 18 | Yes |
Popular Name: 2-[(1S)-2-amino-1-(4-methylpiperazin-1-yl)ethyl]-4-bromo-phenol 2-[(1S)-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) | 1.35 | 2.18 | -115.78 | 5 | 4 | 2 | 56 | 316.243 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 0.48 | -43.94 | 3 | 4 | 0 | 57 | 314.227 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | -0.31 | -47.2 | 4 | 4 | 1 | 54 | 315.235 | 3 | ↓ |
