| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 8 | No |
Popular Name: Phosphonoacetic acid Phosphonoacetic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 4408-78-0
| 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) | -1.70 | -0.64 | -115.99 | 1 | 5 | -2 | 100 | 138.015 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.70 | 0.47 | -223.24 | 0 | 5 | -3 | 103 | 137.007 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 139-146? | Alfa-Aesar |
| Melting_Point | 139-146° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0838538A1; US5488098; US5788857 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5386063 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-5-O | Plasmodium Falciparum (cluster #5 Of 22), Other | Other | 10000 | 0.88 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.88 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.