| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[[3-[[[(1S)-1-cyanopropyl]amino]methyl]phenyl]methylamino]butanenitrile (2S)-2-[[3-[[[(1S)-1-cyanopropyl…
| 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) | 2.33 | 5.78 | -9.57 | 2 | 4 | 0 | 72 | 270.38 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 6.8 | -46.91 | 3 | 4 | 1 | 76 | 271.388 | 8 | ↓ |
