| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 14 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(4-bromo-2-thienyl)ethyl]-methyl-amino]ethanol 2-[[(1S)-2-amino-1-(4-bromo-2-th…
| 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) | 0.73 | -0.38 | -47.46 | 4 | 3 | 1 | 51 | 280.211 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 1.09 | -31.03 | 4 | 3 | 1 | 51 | 280.211 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | -1.1 | -3.54 | 3 | 3 | 0 | 49 | 279.203 | 5 | ↓ |
