| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 32 | Yes |
Popular Name: LS-104016 LS-104016
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) | 5.94 | 7.36 | -17.44 | 4 | 6 | 0 | 98 | 418.456 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.94 | 7.77 | -38.95 | 5 | 6 | 1 | 99 | 419.464 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.94 | 8.22 | -77.78 | 6 | 6 | 2 | 100 | 420.472 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80017-2-O | A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #2 Of 2), Other | Other | 2700 | 0.24 | Functional ≤ 10μM |
| Z80768-1-O | CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other | Other | 1050 | 0.26 | Functional ≤ 10μM |
| Z81034-6-O | A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other | Other | 4300 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 4300 | 0.23 | Functional ≤ 10μM |
| Z80017 | Z80017 | A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) | 2700 | 0.24 | Functional ≤ 10μM |
| Z80768 | Z80768 | CH1 (Ovarian Carcinoma Cells) | 1050 | 0.26 | Functional ≤ 10μM |
