| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | No |
Popular Name: 2-[[(1S,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]-(cyanomethyl)amino]acetonitrile 2-[[(1S,2S)-2-amino-1-(5-chloro-…
| 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) | 1.94 | 4.43 | -63.54 | 3 | 4 | 1 | 78 | 283.808 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 3.75 | -13.93 | 2 | 4 | 0 | 77 | 282.8 | 6 | ↓ |
