In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 26 | No |
Popular Name: (4E,5S)-1-(3-hydroxypropyl)-4-[hydroxy-(p-tolyl)methylene]-5-phenyl-pyrrolidine-2,3-dione (4E,5S)-1-(3-hydroxypropyl)-4-[h…
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) | 2.47 | 6.49 | -63.74 | 1 | 5 | -1 | 81 | 350.394 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 6.45 | -12.01 | 1 | 5 | 0 | 75 | 351.402 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 6.1 | -12.7 | 2 | 5 | 0 | 78 | 351.402 | 6 | ↓ |