| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2013 | 24 | No |
Popular Name: 3,5-Dihydroxy-2-(3-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-7-methoxy-4H-chromen-4-one 3,5-Dihydroxy-2-(3-hydroxy-4-met…
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CAS Number: 529-40-8
None
| 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) | -0.11 | 4.35 | -16.13 | 1 | 7 | 0 | 99 | 332.308 | 3 | ↓ |
| Ref Reference (pH 7) | -0.11 | 4.37 | -19.09 | 1 | 7 | 0 | 99 | 332.308 | 3 | ↓ |
| Ref Reference (pH 7) | -0.11 | 4.37 | -19.54 | 1 | 7 | 0 | 99 | 332.308 | 3 | ↓ |
| Ref Reference (pH 7) | -0.11 | 4.36 | -15.8 | 1 | 7 | 0 | 99 | 332.308 | 3 | ↓ |
| Ref Reference (pH 7) | 0.56 | 3.4 | -14.36 | 2 | 7 | 0 | 106 | 332.308 | 3 | ↓ |
| Ref Reference (pH 7) | 0.56 | 3.4 | -14.6 | 2 | 7 | 0 | 106 | 332.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 4.2 | -56.1 | 1 | 7 | -1 | 109 | 331.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 4.2 | -56.35 | 1 | 7 | -1 | 109 | 331.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 5.35 | -55.59 | 0 | 7 | -1 | 102 | 331.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 5.36 | -60.28 | 0 | 7 | -1 | 102 | 331.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 5.35 | -55.56 | 0 | 7 | -1 | 102 | 331.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 5.36 | -60.3 | 0 | 7 | -1 | 102 | 331.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.