In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 14 | Yes |
Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidin-3-one 1-[(1S,2R,4R)-2,4-dimethylcycloh…
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) | 1.80 | 7.1 | -39.78 | 1 | 2 | 1 | 22 | 196.314 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 5.07 | -3.38 | 0 | 2 | 0 | 20 | 195.306 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.