| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 34 | No |
Popular Name: [(2Z)-6-hydroxy-2-(o-tolylmethylene)-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-2-(o-tolylmethyl…
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| 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) | 3.85 | 12.43 | -59.64 | 2 | 6 | 1 | 77 | 455.534 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 10.86 | -45.2 | 0 | 6 | -1 | 79 | 453.518 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 10.29 | -21.53 | 1 | 6 | 0 | 76 | 454.526 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 13.01 | -34.16 | 1 | 6 | 0 | 80 | 454.526 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
