| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(5-bromo-2-thienyl)ethyl]-(2-hydroxyethyl)amino]ethanol 2-[[(1S)-2-amino-1-(5-bromo-2-th…
| 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) | 0.30 | -2.39 | -47.49 | 5 | 4 | 1 | 71 | 310.237 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | -1.29 | -31.54 | 5 | 4 | 1 | 71 | 310.237 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | -2.85 | -4.64 | 4 | 4 | 0 | 70 | 309.229 | 7 | ↓ |
