In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 5th, 2007 | 27 | No |
Popular Name: 1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(p-tolyl)methylene]-pyrrolidine-2,3-dione 1-butyl-5-(4-chlorophenyl)-4-[hy…
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) | 4.94 | 11.27 | -56.86 | 0 | 4 | -1 | 60 | 382.867 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.36 | 11.52 | -9.3 | 0 | 4 | 0 | 54 | 383.875 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.39 | 11.26 | -17.22 | 1 | 4 | 0 | 58 | 383.875 | 5 | ↓ |