| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 27 | No |
Popular Name: 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-chromen-2-one 4-hydroxy-3-[1-(4-nitrophenyl)-3…
| 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) | 3.49 | 11.33 | -36.32 | 0 | 7 | -1 | 116 | 366.349 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 10.13 | -22.85 | 1 | 7 | 0 | 113 | 367.357 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 10.73 | -25.92 | 1 | 7 | 0 | 113 | 367.357 | 6 | ↓ |
