| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2006 | 23 | No |
Popular Name: 5-[(8Z)-pentadec-8-enyl]resorcinol 5-[(8Z)-pentadec-8-enyl]resorcinol
Find On: PubMed — Wikipedia — Google
CAS Number: 22910-86-7
| 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) | 7.84 | 9.96 | -8.9 | 2 | 2 | 0 | 40 | 318.501 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80039-2-O | BGC-823 (Stomach Adenocarcinoma Cells) (cluster #2 Of 2), Other | Other | 1800 | 0.35 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 1760 | 0.35 | Functional ≤ 10μM |
| Z80697-3-O | Bel-7402 (Hepatoma Cells) (cluster #3 Of 3), Other | Other | 1860 | 0.35 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 1850 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 1850 | 0.35 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 1760 | 0.35 | Functional ≤ 10μM |
| Z80697 | Z80697 | Bel-7402 (Hepatoma Cells) | 1860 | 0.35 | Functional ≤ 10μM |
| Z80039 | Z80039 | BGC-823 (Stomach Adenocarcinoma Cells) | 1800 | 0.35 | Functional ≤ 10μM |
