In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2006 | 33 | No |
Popular Name: 4-(4-fluorobenzoyl)-5-(3-propoxyphenyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-dione 4-(4-fluorobenzoyl)-5-(3-propoxy…
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) | 3.56 | 10.9 | -50.54 | 0 | 6 | -1 | 83 | 445.47 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 2.14 | -23.22 | 1 | 6 | 0 | 79 | 446.478 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.98 | 2.64 | -15 | 0 | 6 | 0 | 76 | 446.478 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 2.25 | -52.38 | 2 | 6 | 1 | 80 | 447.486 | 7 | ↓ |