| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | No |
Popular Name: (9S)-2-fluorospiro[fluorene-9,5'-imidazolidine]-2',4'-quinone (9S)-2-fluorospiro[fluorene-9,5'…
| 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) | 2.25 | -2.81 | -9.41 | 2 | 4 | 0 | 58 | 268.247 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1A1-1-E | Aldehyde Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 27 | 0.53 | Binding ≤ 10μM |
| ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 300 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1A1_PIG | P50578 | Aldehyde Reductase, Pig | 27 | 0.53 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 300 | 0.46 | Binding ≤ 1μM |
| AK1A1_PIG | P50578 | Aldehyde Reductase, Pig | 27 | 0.53 | Binding ≤ 10μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 300 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
