| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(5-methyl-2-thienyl)butyl]-(2-hydroxyethyl)amino]ethanol 2-[[(1R,2S)-2-amino-1-(5-methyl-…
| 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) | 0.52 | 0.44 | -30.52 | 5 | 4 | 1 | 71 | 273.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | -1.52 | -36.54 | 5 | 4 | 1 | 71 | 273.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | -1.85 | -4.66 | 4 | 4 | 0 | 70 | 272.414 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 0.73 | -99.4 | 6 | 4 | 2 | 73 | 274.43 | 8 | ↓ |
