| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 28 | No |
Popular Name: [(2S,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methyl [(2S,3R,5R)-5-(2,4-dioxopyrimidi…
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| 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) | -3.88 | 0.85 | -368.88 | 1 | 15 | -4 | 235 | 466.1 | 8 | ↓ |
| Mid Mid (pH 6-8) | -3.88 | -0.31 | -231.87 | 2 | 15 | -3 | 232 | 467.108 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOG1-1-E | DNA Polymerase Gamma Subunit 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3500 | 0.27 | Binding ≤ 10μM |
| DPOLB-1-E | DNA Polymerase Beta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3000 | 0.28 | Binding ≤ 10μM |
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral | Viruses | 70 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 70 | 0.36 | Binding ≤ 1μM |
| DPOLB_HUMAN | P06746 | DNA Polymerase Beta, Human | 3000 | 0.28 | Binding ≤ 10μM |
| DPOG1_HUMAN | P54098 | DNA Polymerase Gamma Subunit 1, Human | 3500 | 0.27 | Binding ≤ 10μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 70 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Base-free sugar-phosphate removal via the single-nucleotide replacement pathway | |
| Removal of DNA patch containing abasic residue | |
| Resolution of AP sites via the single-nucleotide replacement pathway |
