| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 29 | No |
Popular Name: 27:2(5Z,9Z) 27:2(5Z,9Z)
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) | 9.54 | 20.98 | -43.41 | 0 | 2 | -1 | 40 | 405.687 | 23 | ↓ |
| Lo Low (pH 4.5-6) | 9.54 | 19.01 | -5.17 | 1 | 2 | 0 | 37 | 406.695 | 23 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP1-2-E | DNA Topoisomerase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 900 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP1_HUMAN | P11387 | DNA Topoisomerase I, Human | 900 | 0.29 | Binding ≤ 1μM |
| TOP1_HUMAN | P11387 | DNA Topoisomerase I, Human | 900 | 0.29 | Binding ≤ 10μM |
