In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 34 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(4-isopropylphenyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-1-(2-…
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) | 5.25 | 12.71 | -58.1 | 0 | 6 | -1 | 83 | 456.518 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.69 | 11.4 | -26.13 | 1 | 6 | 0 | 80 | 457.526 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 12.37 | -18.51 | 0 | 6 | 0 | 77 | 457.526 | 9 | ↓ |