| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2008 | 31 | No |
Popular Name: Diplacone Diplacone
| 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) | 5.52 | 5.86 | -11.76 | 4 | 6 | 0 | 107 | 424.493 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 10000 | 0.23 | Functional ≤ 10μM |
| Z80548-3-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #3 Of 5), Other | Other | 10000 | 0.23 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 3200 | 0.25 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 10000 | 0.23 | Functional ≤ 10μM |
| Z80704-1-O | BJ (Foreskin Fibroblast Cells) (cluster #1 Of 2), Other | Other | 5900 | 0.24 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 3200 | 0.25 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 10000 | 0.23 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 10000 | 0.23 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 10000 | 0.23 | Functional ≤ 10μM |
| Z80704 | Z80704 | BJ (Foreskin Fibroblast Cells) | 5900 | 0.24 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.