| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 24 | Yes |
Popular Name: 2-[[6-amino-2-(3,5-dichloroanilino)purin-9-yl]methoxy]ethanol 2-[[6-amino-2-(3,5-dichloroanili…
| 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) | 3.15 | 5.48 | -12.49 | 4 | 8 | 0 | 111 | 369.212 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 7900 | 0.30 | Functional ≤ 10μM |
| Z80942-1-O | HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other | Other | 7900 | 0.30 | Functional ≤ 10μM |
| Z81247-5-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other | Other | 2500 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 1400 | 0.34 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2500 | 0.33 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 7900 | 0.30 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
