| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(5-bromo-2-thienyl)ethyl]-ethyl-amino]ethanol 2-[[(1R)-2-amino-1-(5-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) | 1.30 | 0.47 | -41.14 | 4 | 3 | 1 | 51 | 294.238 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 1.59 | -29.7 | 4 | 3 | 1 | 51 | 294.238 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 0.11 | -2.69 | 3 | 3 | 0 | 49 | 293.23 | 6 | ↓ |
