| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 28 | No |
Popular Name: 2-[[2-(3-cyanoanilino)-2-oxo-ethyl]-[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide 2-[[2-(3-cyanoanilino)-2-oxo-eth…
| 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) | 3.24 | 8.35 | -40.93 | 4 | 6 | 1 | 100 | 379.484 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 8.27 | -25.5 | 3 | 6 | 0 | 107 | 378.476 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.51 | -12.47 | 3 | 6 | 0 | 99 | 378.476 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
