| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 16 | Yes |
Popular Name: 3-[[(1S,2R)-2-amino-1-(4-bromo-2-thienyl)propyl]-methyl-amino]propanenitrile 3-[[(1S,2R)-2-amino-1-(4-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) | 1.22 | 3.57 | -54.02 | 3 | 3 | 1 | 55 | 303.249 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 3.25 | -7.04 | 2 | 3 | 0 | 53 | 302.241 | 5 | ↓ |
