| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 36 | No |
Popular Name: SIDEROXYLONAL A SIDEROXYLONAL A
Find On: PubMed — Wikipedia — Google
CAS Number: [145382-68-9]
| 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) | 4.80 | 2.88 | -26.65 | 5 | 10 | 0 | 179 | 500.5 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.80 | 5.5 | -84.95 | 3 | 10 | -2 | 184 | 498.484 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 4.75 | -45.92 | 4 | 10 | -1 | 181 | 499.492 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAI1-1-E | Plasminogen Activator Inhibitor-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3300 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAI1_HUMAN | P05121 | Plasminogen Activator Inhibitor-1, Human | 3300 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Dissolution of Fibrin Clot | |
| ECM proteoglycans | |
| Platelet degranulation | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription |
