In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 4th, 2010 | 26 | Yes |
Popular Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone 1-[4-[(4-methoxyphenyl)methyl]-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) | 2.96 | 11.3 | -50.76 | 1 | 5 | 1 | 43 | 355.458 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 9.46 | -14.62 | 0 | 5 | 0 | 42 | 354.45 | 6 | ↓ |