| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2009 | 45 | No |
| 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) | 3.98 | 10.57 | -53.34 | 1 | 10 | -1 | 136 | 646.767 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYSY-1-B | Thymidylate Synthase (cluster #1 Of 1), Bacterial | Bacteria | 1800 | 0.18 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYSY_ECOLI | P0A884 | Thymidylate Synthase, Ecoli | 1800 | 0.18 | Binding ≤ 10μM |
| TYSY_LACCA | P00469 | Thymidylate Synthase, Lacca | 1400 | 0.18 | Binding ≤ 10μM |
