| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 18 | Yes |
Popular Name: 3-[[3-[(2-cyanoethylamino)methyl]phenyl]methylamino]propanenitrile 3-[[3-[(2-cyanoethylamino)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) | -0.05 | 5.55 | -66.75 | 3 | 4 | 1 | 76 | 243.334 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 4.13 | -12.64 | 2 | 4 | 0 | 72 | 242.326 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 7 | -135.49 | 4 | 4 | 2 | 81 | 244.342 | 8 | ↓ |
