| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 28 | Yes |
Popular Name: Helioxanthin 8-1 Helioxanthin 8-1
Find On: PubMed — Wikipedia — Google
CAS Number: 840529-13-7
| 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) | 3.73 | 2.92 | -47.42 | 1 | 8 | -1 | 106 | 375.316 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 1.81 | -21.55 | 2 | 8 | 0 | 103 | 376.324 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 1400 | 0.29 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 1400 | 0.29 | Functional ≤ 10μM |
| Z50606-2-O | Hepatitis B Virus (cluster #2 Of 3), Other | Other | 900 | 0.30 | Functional ≤ 10μM |
| Z50627-1-O | Human Papillomavirus Type 11 (cluster #1 Of 1), Other | Other | 5800 | 0.26 | Functional ≤ 10μM |
| Z50643-2-O | Hepatitis C Virus (cluster #2 Of 5), Other | Other | 10000 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 100 | 0.35 | Functional ≤ 10μM |
| Z50643 | Z50643 | Hepatitis C Virus | 10000 | 0.25 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 1200 | 0.30 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 1400 | 0.29 | Functional ≤ 10μM |
| Z50627 | Z50627 | Human Papillomavirus Type 11 | 5800 | 0.26 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.