| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 18 | Yes |
Popular Name: methylBLAH methylBLAH
| 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) | 5.05 | 0.65 | -7.46 | 1 | 1 | 0 | 15 | 231.298 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80055-2-O | CAKI-1 (Kidney Carcinoma Cells) (cluster #2 Of 2), Other | Other | 6600 | 0.40 | Functional ≤ 10μM |
| Z80560-1-O | U-251 (Glioma Cells) (cluster #1 Of 3), Other | Other | 1480 | 0.45 | Functional ≤ 10μM |
| Z80575-3-O | UO-31 (Renal Carcinoma Cells) (cluster #3 Of 3), Other | Other | 1620 | 0.45 | Functional ≤ 10μM |
| Z80625-1-O | 60 Human Cell Lines (cluster #1 Of 1), Other | Other | 2400 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80625 | Z80625 | 60 Human Cell Lines | 2400 | 0.44 | Functional ≤ 10μM |
| Z80055 | Z80055 | CAKI-1 (Kidney Carcinoma Cells) | 6600 | 0.40 | Functional ≤ 10μM |
| Z80560 | Z80560 | U-251 (Glioma Cells) | 1480 | 0.45 | Functional ≤ 10μM |
| Z80575 | Z80575 | UO-31 (Renal Carcinoma Cells) | 1620 | 0.45 | Functional ≤ 10μM |
