| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 9 | Yes |
Popular Name: (3S)-3-methylhex-5-enoic (3S)-3-methylhex-5-enoic
| 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) | 1.49 | 5.39 | -42.96 | 0 | 2 | -1 | 40 | 127.163 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 3.41 | -5.11 | 1 | 2 | 0 | 37 | 128.171 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0835248A1; EP0998468A1; US6150303; WO1985005294A1; WO1999005130A1; WO2000023413A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO2000026194A1 | IBM Patent Data |
