| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | No |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-methyl-2-thienyl)propyl]-(cyanomethyl)amino]acetonitrile 2-[[(1S,2R)-2-amino-1-(5-methyl-…
| 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) | 0.82 | 3.95 | -55.28 | 3 | 4 | 1 | 78 | 249.363 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 3.45 | -15.4 | 2 | 4 | 0 | 77 | 248.355 | 5 | ↓ |
