| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 39 | No |
Popular Name: BRD-A76941896-001-01-6 BRD-A76941896-001-01-6
None
| 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) | 0.57 | -11 | -59.11 | 8 | 12 | 1 | 207 | 544.533 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 65 | 0.26 | Functional ≤ 10μM |
| Z80088-1-O | CHO (Ovarian Cells) (cluster #1 Of 4), Other | Other | 6000 | 0.19 | Functional ≤ 10μM |
| Z80211-1-O | LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 9100 | 0.18 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 810 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088 | Z80088 | CHO (Ovarian Cells) | 60 | 0.26 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 810 | 0.22 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 22 | 0.27 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 65 | 0.26 | Functional ≤ 10μM |
