| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2008 | 17 | Yes |
Popular Name: N(2)-PHENYLGUANINE N(2)-PHENYLGUANINE
Find On: PubMed — Wikipedia — Google
CAS Number: 40769-49-1
| 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) | 1.58 | 6.1 | -16.23 | 3 | 6 | 0 | 86 | 227.227 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 8000 | 0.42 | Binding ≤ 10μM |
| Q6L709-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 1600 | 0.48 | Binding ≤ 10μM |
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 8000 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q6L709_HHV2 | Q6L709 | Thymidine Kinase, Hhv2 | 1600 | 0.48 | Binding ≤ 10μM |
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 8000 | 0.42 | Binding ≤ 10μM |
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 1600 | 0.48 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.