| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 14 | Yes |
Popular Name: Potassium 1,2-dihydroxypropane-1,2,3-tricarboxylate Potassium 1,2-dihydroxypropane-1…
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CAS Numbers: 232281-44-6 , 27750-10-3 , 6205-14-7
| 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) | -2.90 | 1.31 | -210.88 | 2 | 8 | -3 | 161 | 205.098 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -2.90 | -0.67 | -125.69 | 3 | 8 | -2 | 158 | 206.106 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACLY-1-E | ATP-citrate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACLY_RAT | P16638 | ATP-citrate Synthase, Rat | 150 | 0.68 | Binding ≤ 1μM |
| ACLY_RAT | P16638 | ATP-citrate Synthase, Rat | 150 | 0.68 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.