| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(5-chloro-2-thienyl)ethyl]-propyl-amino]ethanol 2-[[(1R)-2-amino-1-(5-chloro-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) | 1.68 | 1.05 | -45.25 | 4 | 3 | 1 | 51 | 263.814 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 0.19 | -3.87 | 3 | 3 | 0 | 49 | 262.806 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 2.2 | -29.07 | 4 | 3 | 1 | 51 | 263.814 | 7 | ↓ |
