In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2005 | 24 | Yes |
Popular Name: 1-(2-methoxyphenyl)-N-[(3-phenoxyphenyl)methyl]methanamine 1-(2-methoxyphenyl)-N-[(3-phenox…
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) | 4.63 | 10.45 | -41.79 | 2 | 3 | 1 | 35 | 320.412 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.63 | 9.07 | -6.83 | 1 | 3 | 0 | 30 | 319.404 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1996034851A1 | IBM Patent Data |