| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 16 | No |
Popular Name: 2-[[(1S)-2-amino-1-(4-bromo-2-thienyl)ethyl]-(cyanomethyl)amino]acetonitrile 2-[[(1S)-2-amino-1-(4-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) | 0.94 | 2.6 | -67.97 | 3 | 4 | 1 | 78 | 300.205 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 2.21 | -13.06 | 2 | 4 | 0 | 77 | 299.197 | 5 | ↓ |
