| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-butyl-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) | 3.30 | 4.49 | -32.02 | 4 | 3 | 1 | 51 | 350.346 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 3.17 | -43.17 | 4 | 3 | 1 | 51 | 350.346 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 2.87 | -2.47 | 3 | 3 | 0 | 49 | 349.338 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 4.76 | -111.54 | 5 | 3 | 2 | 52 | 351.354 | 9 | ↓ |
