| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2011 | 15 | Yes |
Popular Name: (1S,2R)-2-[(4-methyl-1-piperidyl)methyl]cyclohexanamine (1S,2R)-2-[(4-methyl-1-piperidyl…
| 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) | 2.14 | 6.55 | -112.69 | 4 | 2 | 2 | 32 | 212.381 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 4.61 | -42.41 | 3 | 2 | 1 | 31 | 211.373 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 6.23 | -32.35 | 3 | 2 | 1 | 30 | 211.373 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5804589 | IBM Patent Data |
