In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 29 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-1-phenethyl-5-phenyl-pyrrolidine-2,3-dione 4-[hydroxy-(4-pyridyl)methylene]…
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) | 2.89 | 10.48 | -56.77 | 0 | 5 | -1 | 73 | 383.427 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 10.88 | -19.68 | 0 | 5 | 0 | 67 | 384.435 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 11.17 | -69.16 | 1 | 5 | 1 | 69 | 385.443 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 9.72 | -13.26 | 1 | 5 | 0 | 71 | 384.435 | 6 | ↓ |