In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 20th, 2009 | 17 | Yes |
Popular Name: 1-(3,5-dichloro-4-pyridinyl)-4-piperidinecarboxamide 1-(3,5-dichloro-4-pyridinyl)-4-p…
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) | 1.90 | 1.8 | -10.22 | 2 | 4 | 0 | 59 | 274.151 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50517-1-O | Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other | Other | 5000 | 0.44 | Functional ≤ 10μM |
Z50530-3-O | Human Herpesvirus 5 (cluster #3 Of 5), Other | Other | 3500 | 0.45 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50530 | Z50530 | Human Herpesvirus 5 | 3500 | 0.45 | Functional ≤ 10μM |
Z50517 | Z50517 | Human Herpesvirus 5 Strain AD169 | 5000 | 0.44 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.