| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2012 | 21 | Yes |
Popular Name: 4-[[(1R)-2-[(1R,3R)-1,3-dimethylcyclohexyl]-1-methyl-ethyl]amino]benzoic 4-[[(1R)-2-[(1R,3R)-1,3-dimethyl…
| 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) | 5.51 | 10.62 | -52.08 | 1 | 3 | -1 | 52 | 288.411 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.51 | 10.49 | -63.37 | 2 | 3 | 0 | 57 | 289.419 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4227014 | IBM Patent Data |
