| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 20 | No |
Popular Name: 18542-37-5; C09582; Vernolepin 18542-37-5; C09582; Vernolepin
Find On: PubMed — Wikipedia — Google
CAS Number: 18542-37-5
5a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione
| 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) | 0.45 | 0.86 | -15.91 | 1 | 5 | 0 | 72 | 276.288 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80141-1-O | GH3 (Pituitary Adenoma Cells) (cluster #1 Of 1), Other | Other | 5200 | 0.37 | Functional ≤ 10μM |
| Z81247-3-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #3 Of 9), Other | Other | 3500 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80141 | Z80141 | GH3 (Pituitary Adenoma Cells) | 5200 | 0.37 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 3500 | 0.38 | Functional ≤ 10μM |
