| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-(1-ethylpropyl)amino]ethanol 2-[[(1R,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) | 3.61 | 3.61 | -44.39 | 4 | 3 | 1 | 51 | 364.373 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 3.29 | -2.7 | 3 | 3 | 0 | 49 | 363.365 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 5.44 | -102.37 | 5 | 3 | 2 | 52 | 365.381 | 9 | ↓ |
