In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 30 | No |
Popular Name: 1-(2-furylmethyl)-4-(hydroxy-phenyl-methylene)-5-(4-isopropylphenyl)-pyrrolidine-2,3-dione 1-(2-furylmethyl)-4-(hydroxy-phe…
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) | 4.55 | 11.25 | -61.7 | 0 | 5 | -1 | 74 | 400.454 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 2.57 | -20.66 | 1 | 5 | 0 | 70 | 401.462 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 2.04 | -11.66 | 0 | 5 | 0 | 67 | 401.462 | 6 | ↓ |