In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 27 | Yes |
Popular Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic 1-cyclopropyl-7-(2,6-dimethyl-4-…
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) | 1.38 | 2.68 | -59.35 | 0 | 5 | -1 | 75 | 369.347 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 2.7 | -82.09 | 1 | 5 | 0 | 76 | 370.355 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TOP2A-1-E | DNA Topoisomerase II Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7600 | 0.27 | Binding ≤ 10μM |
TOP2B-1-E | DNA Topoisomerase II Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7600 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TOP2A_HUMAN | P11388 | DNA Topoisomerase II Alpha, Human | 7600 | 0.27 | Binding ≤ 10μM |
TOP2B_HUMAN | Q02880 | DNA Topoisomerase II Beta, Human | 7600 | 0.27 | Binding ≤ 10μM |
Description | Species |
---|---|
G0 and Early G1 |