| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 30 | No |
Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one (2Z)-2-[[4-(diethylamino)phenyl]…
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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) | 4.69 | 12.15 | -107.65 | 3 | 5 | 0 | 59 | 408.542 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.69 | 12.62 | -29.48 | 1 | 5 | 0 | 61 | 406.526 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.69 | 12.05 | -41.94 | 2 | 5 | 1 | 58 | 407.534 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.69 | 12.72 | -77.76 | 2 | 5 | 0 | 62 | 407.534 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
