| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2012 | 9 | Yes |
Popular Name: 2,3-dimethylpent-4-enoic acid 2,3-dimethylpent-4-enoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 59793-05-4
| 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 | 5.12 | -42.51 | 0 | 2 | -1 | 40 | 127.163 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0835248A1; WO2000023413A1; WO2000026194A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US6150303 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.