| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: Milk lactone Milk lactone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16424-55-8 , 85392-03-6
| 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) | 3.54 | 7.24 | -45.39 | 0 | 2 | -1 | 40 | 169.244 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 6.12 | -7 | 1 | 2 | 0 | 37 | 170.252 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000031211A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.