In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 26 | No |
Popular Name: (4E,5R)-1-allyl-5-(4-bromophenyl)-4-[hydroxy-(p-tolyl)methylene]pyrrolidine-2,3-dione (4E,5R)-1-allyl-5-(4-bromophenyl…
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) | 4.28 | 9.95 | -56.61 | 0 | 4 | -1 | 60 | 411.275 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 10.66 | -9.81 | 0 | 4 | 0 | 54 | 412.283 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.73 | 10.05 | -10.4 | 1 | 4 | 0 | 58 | 412.283 | 4 | ↓ |