| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 3-[[(1S,2S)-2-amino-1-(5-bromo-2-thienyl)butyl]-ethyl-amino]propanenitrile 3-[[(1S,2S)-2-amino-1-(5-bromo-2…
| 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) | 2.33 | 4.96 | -53.04 | 3 | 3 | 1 | 55 | 331.303 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 4.66 | -6.71 | 2 | 3 | 0 | 53 | 330.295 | 7 | ↓ |
