| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(5-bromo-2-thienyl)ethyl]-propyl-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) | 1.81 | 1.05 | -53.1 | 4 | 3 | 1 | 51 | 308.265 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 0.83 | -4.93 | 3 | 3 | 0 | 49 | 307.257 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 2.76 | -30.24 | 4 | 3 | 1 | 51 | 308.265 | 7 | ↓ |
