In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 12 | Yes |
Popular Name: Cyclobutaneacetic acid, 2-acetyl-1-methyl- (9CI) Cyclobutaneacetic acid, 2-acetyl…
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CAS Number: 412011-51-9
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) | 0.76 | 5.66 | -44.99 | 0 | 3 | -1 | 57 | 169.2 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.76 | 3.7 | -9.27 | 1 | 3 | 0 | 54 | 170.208 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.