In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2008 | 25 | No |
Popular Name: (4E,5R)-4-[(4-bromophenyl)-hydroxy-methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione (4E,5R)-4-[(4-bromophenyl)-hydro…
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) | 2.90 | 6.39 | -51.91 | 1 | 7 | -1 | 115 | 402.18 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 5.56 | -19.35 | 2 | 7 | 0 | 112 | 403.188 | 4 | ↓ |