| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2006 | 23 | No |
Popular Name: 3-(4-azepan-1-ylphenyl)-2-cyano-N-cyclopropyl-prop-2-enamide 3-(4-azepan-1-ylphenyl)-2-cyano-…
| 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) | 3.37 | 9.05 | -6.86 | 1 | 4 | 0 | 56 | 309.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 9.38 | -37.45 | 2 | 4 | 1 | 57 | 310.421 | 4 | ↓ |
