In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 31 | No |
Popular Name: 5-(3-ethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(3-ethoxyphenyl)-4-(hydroxy-ph…
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) | 2.95 | 9.99 | -62.38 | 0 | 6 | -1 | 83 | 413.453 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.95 | -0.28 | -13.09 | 1 | 6 | 0 | 79 | 414.461 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.37 | -0.4 | -11.09 | 0 | 6 | 0 | 76 | 414.461 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.95 | -0.16 | -43.26 | 2 | 6 | 1 | 80 | 415.469 | 7 | ↓ |