| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 3-[[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-methyl-amino]propanenitrile 3-[[(1S,2R)-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) | 1.96 | 4.5 | -55.27 | 3 | 3 | 1 | 55 | 317.276 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 4.16 | -6.95 | 2 | 3 | 0 | 53 | 316.268 | 6 | ↓ |
