In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 29 | No |
Popular Name: 1-butyl-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-nitrophenyl)-pyrrolidine-2,3-dione 1-butyl-4-[(4-chlorophenyl)-hydr…
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) | 4.43 | 10.79 | -49.98 | 0 | 7 | -1 | 106 | 413.837 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.88 | 0.99 | -18.84 | 1 | 7 | 0 | 103 | 414.845 | 6 | ↓ |