| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2014 | 19 | Yes |
Popular Name: 4-HYDROXY-2,5-DIMETHYL-3-(MORPHOLINOMETHYL)-6-OXO-1,3-CYCLOHEXADIENE-1-CARBONITRILE 4-HYDROXY-2,5-DIMETHYL-3-(MORPHO…
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CAS Number: 85843-03-4
| 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) | 0.88 | 2.02 | -17.13 | 1 | 5 | 0 | 74 | 262.309 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 2.71 | -30.94 | 0 | 5 | -1 | 76 | 261.301 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 2.71 | -31.02 | 0 | 5 | -1 | 76 | 261.301 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.