| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 32 | No |
Popular Name: ethyl-hydroxy-[(1R)-1-hydroxy-2-nitro-ethyl]BLAHdione ethyl-hydroxy-[(1R)-1-hydroxy-2-…
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) | 1.23 | 5.03 | -16.74 | 2 | 10 | 0 | 147 | 437.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 5.61 | -42.87 | 2 | 10 | -1 | 153 | 436.4 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 1230 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 1230 | 0.26 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
