| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | No |
Popular Name: 2-[[(1R,2S)-2-amino-1-(3-methyl-2-thienyl)propyl]-(cyanomethyl)amino]acetonitrile 2-[[(1R,2S)-2-amino-1-(3-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) | 0.98 | 3.14 | -60.62 | 3 | 4 | 1 | 78 | 249.363 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 3.5 | -13.07 | 2 | 4 | 0 | 77 | 248.355 | 5 | ↓ |
