| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 12 | Yes |
Popular Name: Bicyclo[3.1.0]hexan-3-one, 2-acetyl-6,6-dimethyl-, (1R,5R)- (9CI) Bicyclo[3.1.0]hexan-3-one, 2-ace…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 197440-66-7 , 340165-10-8
| 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) | 1.20 | 5.5 | -4.47 | 0 | 2 | 0 | 34 | 166.22 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.45 | -39.36 | 0 | 2 | -1 | 40 | 165.212 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.