In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 25th, 2006 | 29 | No |
Popular Name: 4-(2-furylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-5-(4-nitrophenyl)-5H-pyrrol-2-one 4-(2-furylcarbonyl)-1-(2-furylme…
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) | 2.25 | 8.53 | -59.03 | 0 | 9 | -1 | 133 | 393.331 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 1.36 | -32.02 | 1 | 9 | 0 | 129 | 394.339 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 1.56 | -25.19 | 0 | 9 | 0 | 126 | 394.339 | 6 | ↓ |