In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2010 | 34 | Yes |
Popular Name: 4-[5-fluoro-3-methyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]indol-2-yl]phenol 4-[5-fluoro-3-methyl-1-[[4-[2-(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) | 5.55 | 14.66 | -40.61 | 2 | 4 | 1 | 39 | 459.585 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.55 | 12.46 | -9.44 | 1 | 4 | 0 | 38 | 458.577 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5998402; US6127404 | IBM Patent Data |