| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 6 | No |
Popular Name: Isocrotonic acid Isocrotonic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 107-93-7 , 3724-65-0 , 503-64-0 , 6117-91-5 , 96-33-3
| 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) | 0.45 | 2.35 | -47.36 | 0 | 2 | -1 | 40 | 85.082 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | US2004014703; US2005249784; US2008071072 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.