| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)propyl]-methyl-amino]ethanol 2-[[(1S,2R)-2-amino-1-(5-chloro-…
| 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) | 1.20 | 0.31 | -44.12 | 4 | 3 | 1 | 51 | 249.787 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 1.84 | -32.55 | 4 | 3 | 1 | 51 | 249.787 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | -0.06 | -3.14 | 3 | 3 | 0 | 49 | 248.779 | 5 | ↓ |
