| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | Yes |
Popular Name: Glabranin Glabranin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 41983-91-9 , [41983-91-9]
| 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) | 4.85 | 7.31 | -8.33 | 2 | 4 | 0 | 67 | 324.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.85 | 8.32 | -52.3 | 1 | 4 | -1 | 70 | 323.368 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5468492 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306-4-O | Aorta (cluster #4 Of 6), Other | Other | 5790 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306 | Z102306 | Aorta | 5790 | 0.31 | Functional ≤ 10μM |
