| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2009 | 23 | Yes |
Popular Name: LS-65042 LS-65042
| 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) | 4.23 | 10.04 | -40.18 | 2 | 5 | 1 | 59 | 330.481 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 7.91 | -9.14 | 1 | 5 | 0 | 58 | 329.473 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1998036752A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497-1-O | Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other | Other | 30 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497 | Z100497 | Bovine Viral Diarrhea Virus | 30 | 0.46 | Functional ≤ 10μM |
