In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2009 | 24 | Yes |
Popular Name: [2-[(1R)-3-(dimethylamino)-1-phenyl-propoxy]phenyl]methyl [2-[(1R)-3-(dimethylamino)-1-phe…
None
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) | 3.87 | 12.19 | -39.53 | 1 | 4 | 1 | 40 | 328.432 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 9.72 | -8.98 | 0 | 4 | 0 | 39 | 327.424 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO2000058262A1 | IBM Patent Data |