| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)propyl]-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) | 2.77 | 3.66 | -30.09 | 4 | 3 | 1 | 51 | 336.319 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 1.88 | -2.86 | 3 | 3 | 0 | 49 | 335.311 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 2.19 | -40.7 | 4 | 3 | 1 | 51 | 336.319 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 3.97 | -110.2 | 5 | 3 | 2 | 52 | 337.327 | 8 | ↓ |
