| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2006 | 38 | No |
Popular Name: 20304-47-6; C08854; Calactin 20304-47-6; C08854; Calactin
Find On: PubMed — Wikipedia — Google
CAS Number: 20304-47-6
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) | 1.15 | -5.86 | -18.18 | 3 | 9 | 0 | 131 | 532.63 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80211-3-O | LoVo (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other | Other | 50 | 0.27 | Functional ≤ 10μM |
| Z80224-7-O | MCF7 (Breast Carcinoma Cells) (cluster #7 Of 14), Other | Other | 40 | 0.27 | Functional ≤ 10μM |
| Z80390-2-O | PC-3 (Prostate Carcinoma Cells) (cluster #2 Of 10), Other | Other | 20 | 0.28 | Functional ≤ 10μM |
| Z80682-6-O | A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other | Other | 20 | 0.28 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 41 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 20 | 0.28 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 41.3 | 0.27 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 50 | 0.27 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 40 | 0.27 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 20 | 0.28 | Functional ≤ 10μM |
