| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 40 | No |
Popular Name: R24571 R24571
| 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) | 6.78 | 24.09 | -46.1 | 0 | 3 | 1 | 18 | 652.256 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | CDPK1_PLAF7; CDPK1_PLAFK; CDPK1_PLAYO; P2XA_DICDI; P2XB_DICDI; P2XC_DICDI; P2XD_DICDI; P2XE_DICDI | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXR-1-B | Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial | Bacteria | 7000 | 0.18 | Binding ≤ 10μM |
| Z50380-1-O | Mycobacterium Smegmatis (cluster #1 Of 4), Other | Other | 7020 | 0.18 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXR_VIBFI | P12746 | Transcriptional Activator Protein LuxR, Vibfi | 7000 | 0.18 | Binding ≤ 10μM |
| Z50380 | Z50380 | Mycobacterium Smegmatis | 7020 | 0.18 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3981.07171 | 0.19 | Functional ≤ 10μM |
