| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 7th, 2009 | 29 | No |
Popular Name: (E)-4-[4-(azepan-1-yl)-3-[[(Z)-4-hydroxy-4-oxo-but-2-enoyl]amino]anilino]-4-oxo-but-2-enoic (E)-4-[4-(azepan-1-yl)-3-[[(Z)-4…
| 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) | 1.27 | 10.31 | -109.89 | 2 | 9 | -2 | 142 | 399.403 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 9.72 | -109.76 | 3 | 9 | -1 | 143 | 400.411 | 7 | ↓ |
