| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(5-methyl-2-thienyl)ethyl]-isopropyl-amino]ethanol 2-[[(1R)-2-amino-1-(5-methyl-2-t…
None
| 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) | 0.89 | 2.21 | -110.63 | 5 | 3 | 2 | 52 | 244.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | -0.28 | -4.1 | 3 | 3 | 0 | 49 | 242.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 2.93 | -25.46 | 4 | 3 | 1 | 51 | 243.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 0.49 | -39.3 | 4 | 3 | 1 | 51 | 243.396 | 6 | ↓ |
