| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2006 | 13 | No |
Popular Name: Phenylmalonic acid Phenylmalonic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 2613-89-0 , 55277-85-5 , [2613-89-0]
| 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) | 0.87 | 4.66 | -130.21 | 0 | 4 | -2 | 80 | 178.143 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 153 | TCI |
| ALOGPS_SOLUBILITY | 4.84e+00 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| PUBCHEM_PATENT_ID | US4020057; US4131734; US4218564; US4236001 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC-2-E | Tyrosine-protein Kinase SRC (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2500 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 2500 | 0.60 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by ERBB2 |
