In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2010 | 33 | No |
Popular Name: [(Z)-3-aminopropoxyiminomethyl]-ethyl-hydroxy-BLAHdione [(Z)-3-aminopropoxyiminomethyl]-…
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) | 1.13 | 5.79 | -52.79 | 4 | 9 | 1 | 131 | 449.487 | 6 | ↓ |
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 | 1770 | 0.24 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 1770 | 0.24 | Functional ≤ 10μM |