In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2006 | 28 | No |
Popular Name: 1-benzyl-4-(4-chlorobenzoyl)-5-(2-furyl)-3-hydroxy-5H-pyrrol-2-one 1-benzyl-4-(4-chlorobenzoyl)-5-(…
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) | 3.71 | 10.36 | -52.75 | 0 | 5 | -1 | 74 | 392.818 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 0.04 | -27.83 | 1 | 5 | 0 | 70 | 393.826 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 0.24 | -17.96 | 0 | 5 | 0 | 67 | 393.826 | 5 | ↓ |