In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2006 | 30 | No |
Popular Name: 4-(hydroxy-phenyl-methylene)-1-(3-methoxypropyl)-5-(1-naphthyl)pyrrolidine-2,3-dione 4-(hydroxy-phenyl-methylene)-1-(…
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) | 3.79 | 10.64 | -57.06 | 0 | 5 | -1 | 70 | 400.454 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 0.09 | -12.28 | 0 | 5 | 0 | 63 | 401.462 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.24 | -0.33 | -19.59 | 1 | 5 | 0 | 66 | 401.462 | 6 | ↓ |