In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2007 | 32 | No |
Popular Name: 5-(4-ethoxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(4-ethoxyphenyl)-4-[hydroxy-(p…
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) | 3.42 | 9.83 | -63.3 | 0 | 6 | -1 | 83 | 427.48 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 9.93 | -18.56 | 1 | 6 | 0 | 80 | 428.488 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | 10.23 | -46.09 | 2 | 6 | 1 | 81 | 429.496 | 6 | ↓ |