In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 33 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(4-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-5-(4-…
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) | 3.87 | 10.35 | -14.79 | 1 | 6 | 0 | 80 | 460.917 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 11.04 | -21.46 | 0 | 6 | 0 | 77 | 460.917 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.31 | 10.29 | -62.01 | 2 | 6 | 1 | 81 | 461.925 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.28 | 11.32 | -62.88 | 1 | 6 | 1 | 78 | 461.925 | 8 | ↓ |