| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(5-bromo-2-thienyl)butyl]-cyclohexyl-amino]ethanol 2-[[(1R,2S)-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) | 3.77 | 5.06 | -33.59 | 4 | 3 | 1 | 51 | 376.384 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 2.79 | -45.85 | 4 | 3 | 1 | 51 | 376.384 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 2.48 | -2.65 | 3 | 3 | 0 | 49 | 375.376 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 5.35 | -120.47 | 5 | 3 | 2 | 52 | 377.392 | 7 | ↓ |
