| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 32 | No |
Popular Name: CCOc1cccc(c1O)/C=C/2\C(=O)N(/C(=N\c3ccccc3C)/S2)c4ccccc4C CCOc1cccc(c1O)/C=C/2\C(=O)N(/C(=…
| 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) | 6.92 | 13.12 | -12.25 | 1 | 5 | 0 | 64 | 444.556 | 5 | ↓ |
| Ref Reference (pH 7) | 6.92 | 11.83 | -11.67 | 1 | 5 | 0 | 64 | 444.556 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.92 | 12.76 | -50.38 | 0 | 5 | -1 | 67 | 443.548 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.92 | 14.05 | -51.74 | 0 | 5 | -1 | 67 | 443.548 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.92 | 11.65 | -29.61 | 2 | 5 | 1 | 65 | 445.564 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.92 | 13.24 | -27.57 | 2 | 5 | 1 | 65 | 445.564 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
