In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 27 | No |
Popular Name: 1-(2-hydroxyethyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-5-(p-tolyl)pyrrolidine-2,3-dione 1-(2-hydroxyethyl)-4-[hydroxy-(4…
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) | 2.25 | 5.12 | -62.17 | 1 | 6 | -1 | 90 | 366.393 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 5.5 | -11.19 | 1 | 6 | 0 | 84 | 367.401 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 5.24 | -18.45 | 2 | 6 | 0 | 87 | 367.401 | 5 | ↓ |