| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 6th, 2007 | 22 | Yes |
Popular Name: methoxyBLAHol methoxyBLAHol
| 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) | 1.29 | 3.02 | -49.99 | 2 | 5 | 1 | 52 | 302.35 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 0.54 | -8.91 | 1 | 5 | 0 | 51 | 301.342 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80479-1-O | SK-MEL (Melanoma Cells) (cluster #1 Of 1), Other | Other | 8500 | 0.32 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 4500 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 4500 | 0.34 | Functional ≤ 10μM |
| Z80479 | Z80479 | SK-MEL (Melanoma Cells) | 8500 | 0.32 | Functional ≤ 10μM |
