| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 18 | Yes |
Popular Name: 4-methoxy-3,6-dimethyl-pyrano[5,6-f]benzofuran-7-one 4-methoxy-3,6-dimethyl-pyrano[5,…
| 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) | 3.03 | 7.04 | -9.85 | 0 | 4 | 0 | 53 | 244.246 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-12-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #12 Of 12), Other | Other | 2720 | 0.43 | Functional ≤ 10μM |
| Z80852-2-O | A-431 (Epidermoid Carcinoma Cells) (cluster #2 Of 3), Other | Other | 7750 | 0.40 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 6830 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80852 | Z80852 | A-431 (Epidermoid Carcinoma Cells) | 7750 | 0.40 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 6830 | 0.40 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 2720 | 0.43 | Functional ≤ 10μM |
