| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 14 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]-methyl-amino]ethanol 2-[[(1S)-2-amino-1-(3-methyl-2-t…
| 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) | 0.37 | -0.29 | -45.44 | 4 | 3 | 1 | 51 | 215.342 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 1.08 | -28.1 | 4 | 3 | 1 | 51 | 215.342 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -0.73 | -3.81 | 3 | 3 | 0 | 49 | 214.334 | 5 | ↓ |
