| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-ethyl-amino]ethanol 2-[[(1S,2R)-2-amino-1-(5-bromo-2…
| 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) | 2.24 | 3.14 | -30.79 | 4 | 3 | 1 | 51 | 322.292 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 1.85 | -41.68 | 4 | 3 | 1 | 51 | 322.292 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 1.43 | -3.44 | 3 | 3 | 0 | 49 | 321.284 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 3.47 | -112.26 | 5 | 3 | 2 | 52 | 323.3 | 7 | ↓ |
