| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 16th, 2010 | 34 | No |
Popular Name: Maslinic acid Maslinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4373-41-5 , [4373-41-5]
2alpha,3beta-Dihydroxyolean-12-en-28-oic acid
2alpha,3beta-dihydroxyurs-12-en-29-oic acid
| 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) | 5.81 | 9.73 | -53.6 | 2 | 4 | -1 | 81 | 471.702 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 5.81 | 7.75 | -7.1 | 3 | 4 | 0 | 78 | 472.71 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-3-E | Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic | Eukaryotes | 5930 | 0.22 | Binding ≤ 10μM |
| Z50425-4-O | Plasmodium Falciparum (cluster #4 Of 22), Other | Other | 8600 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 5930 | 0.22 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 8600 | 0.21 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
No pre-computed analogs available. Try a structural similarity search.