In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 17th, 2008 | 16 | Yes |
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) | 5.06 | 7.92 | -2.02 | 1 | 1 | 0 | 20 | 222.372 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0000719A2; EP0003515A1; EP0010142A1; EP0012246A1; EP0014929A1; EP0022955A1; EP0033604A1; EP0034323A2; EP0049546A1; EP0074694A2; EP0079906A1; EP0104602A2; EP0107857A1; EP0115278A2; EP0116277A2; EP0137419A2; EP0167709A2; EP0174816A2; EP0177807A2; EP019160 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425-4-O | Plasmodium Falciparum (cluster #4 Of 22), Other | Other | 120 | 0.61 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425 | Z50425 | Plasmodium Falciparum | 120 | 0.61 | Functional ≤ 10μM |