| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-methyl-2-thienyl)propyl]-(2-hydroxyethyl)amino]ethanol 2-[[(1S,2R)-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) | -0.01 | -0.39 | -117.78 | 6 | 4 | 2 | 73 | 260.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | -1.93 | -4.32 | 4 | 4 | 0 | 70 | 258.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | -2.37 | -50.05 | 5 | 4 | 1 | 71 | 259.395 | 7 | ↓ |
