| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2009 | 38 | No |
Popular Name: (1S,3R)-1-(aminomethyl)-3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]isochromane-5,6-diol (1S,3R)-1-(aminomethyl)-3-[1-[4,…
| 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) | 4.76 | 10.92 | -122.05 | 6 | 5 | 2 | 82 | 524.652 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.76 | 10.53 | -50.13 | 5 | 5 | 1 | 80 | 523.644 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6004982; WO1998034933A1 | IBM Patent Data |
