| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2009 | 19 | No |
Popular Name: [5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]phosphonic acid [5-(2-amino-5-isobutyl-1,3-thiaz…
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CAS Number: 261365-11-1
| 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) | 1.77 | 2.69 | -49.25 | 3 | 6 | -1 | 112 | 301.284 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 3.09 | -53.67 | 4 | 6 | 0 | 114 | 302.292 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| F16P1-1-E | Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 25 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| F16P1_HUMAN | P09467 | Fructose-1,6-bisphosphatase, Human | 10 | 0.59 | Binding ≤ 1μM |
| F16P1_HUMAN | P09467 | Fructose-1,6-bisphosphatase, Human | 10 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Gluconeogenesis |
No pre-computed analogs available. Try a structural similarity search.