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-(p-tolyl)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) | 3.53 | 12.03 | -47.81 | 1 | 4 | 1 | 34 | 353.486 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 10.16 | -11.65 | 0 | 4 | 0 | 33 | 352.478 | 5 | ↓ |