| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(5-methyl-2-thienyl)ethyl]-(2-hydroxyethyl)amino]ethanol 2-[[(1S)-2-amino-1-(5-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) | -0.42 | -2.29 | -45.04 | 5 | 4 | 1 | 71 | 245.368 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | -1.19 | -28.68 | 5 | 4 | 1 | 71 | 245.368 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | -2.75 | -5.58 | 4 | 4 | 0 | 70 | 244.36 | 7 | ↓ |
