| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | No |
Popular Name: 2-[[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]-(cyanomethyl)amino]acetonitrile 2-[[(1R)-2-amino-1-(3-methyl-2-t…
| 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) | 0.57 | 2.56 | -64.23 | 3 | 4 | 1 | 78 | 235.336 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 1.78 | -13.58 | 2 | 4 | 0 | 77 | 234.328 | 5 | ↓ |
