In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 16 | Yes |
Popular Name: (1-aminocyclohexyl)-(4-hydroxy-1-piperidyl)methanone (1-aminocyclohexyl)-(4-hydroxy-1…
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) | 0.08 | 0.61 | -54.46 | 4 | 4 | 1 | 68 | 227.328 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 0.55 | -8.81 | 3 | 4 | 0 | 67 | 226.32 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0998469A1; WO1999005133A1 | IBM Patent Data |