| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 20 | Yes |
Popular Name: 4H-1-Benzopyran-4-one, 6-amino-5,7-dihydroxy-2-phenyl- (9CI) 4H-1-Benzopyran-4-one, 6-amino-5…
Find On: PubMed — Wikipedia — Google
CAS Number: 848470-36-0
| 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) | 2.61 | 2.68 | -20.28 | 4 | 5 | 0 | 97 | 269.256 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 3.32 | -57.45 | 3 | 5 | -1 | 100 | 268.248 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 3.13 | -47.99 | 3 | 5 | -1 | 100 | 268.248 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SUIS-3-E | Sucrase-isomaltase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 4 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 4.4 | 0.58 | Binding ≤ 1μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 2400 | 0.39 | Binding ≤ 10μM |
