| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 17 | No |
Popular Name: methyl 5-(1-aminoethylidene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate methyl 5-(1-aminoethylidene)-2,2…
| 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) | 1.20 | 2.77 | -39.65 | 1 | 5 | -1 | 90 | 238.263 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 3.84 | -8.49 | 2 | 5 | 0 | 86 | 239.271 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 2.05 | -7.98 | 2 | 5 | 0 | 87 | 239.271 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 2.09 | -9.07 | 2 | 5 | 0 | 87 | 239.271 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 3.83 | -8.54 | 2 | 5 | 0 | 86 | 239.271 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
