| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 17 | Yes |
Popular Name: 2-methyl-3,5,7-trihydroxychromen-4-one 2-methyl-3,5,7-trihydroxychromen…
Find On: PubMed — Wikipedia — Google
CAS Number: 22105-17-5
| 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) | -0.21 | -0.73 | -56.39 | 3 | 6 | 0 | 89 | 234.259 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | -2.37 | -19.04 | 3 | 6 | 0 | 85 | 234.259 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | -3.5 | -51.64 | 2 | 6 | -1 | 88 | 233.251 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 0.9 | -46.66 | 4 | 6 | 1 | 86 | 235.267 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | -2.94 | -22.61 | 3 | 6 | 0 | 85 | 234.259 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 0.26 | -65.31 | 4 | 6 | 1 | 86 | 235.267 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 4.8 | 0.69 | Binding ≤ 1μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 6.3 | 0.68 | Binding ≤ 1μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 4.8 | 0.69 | Binding ≤ 10μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 6.3 | 0.68 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
No pre-computed analogs available. Try a structural similarity search.