In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 28 | Yes |
Popular Name: 4-amino-N-(1-benzyl-4-piperidyl)-5-chloro-2-ethoxy-N-methyl-benzamide 4-amino-N-(1-benzyl-4-piperidyl)…
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) | 3.72 | 10.38 | -44.48 | 3 | 5 | 1 | 60 | 402.946 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 8.17 | -10.98 | 2 | 5 | 0 | 59 | 401.938 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4367232 | IBM Patent Data |