In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 17 | Yes |
Popular Name: (4-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (4-hydroxyphenyl)-(4-methyl-1,4-…
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) | 0.59 | 4.58 | -42.03 | 2 | 4 | 1 | 45 | 235.307 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 2.07 | -12.09 | 1 | 4 | 0 | 44 | 234.299 | 1 | ↓ |