| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 21 | No |
Popular Name: [2-(2-cyanoanilino)-2-keto-ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium [2-(2-cyanoanilino)-2-keto-ethyl…
| 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) | 1.71 | 5.38 | -48.27 | 3 | 6 | 1 | 86 | 289.359 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 3.18 | -16.06 | 2 | 6 | 0 | 85 | 288.351 | 7 | ↓ |
