In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 28 | No |
Popular Name: 1-benzyl-4-[[5-(3-nitrophenyl)-2-furyl]methyl]piperazine 1-benzyl-4-[[5-(3-nitrophenyl)-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) | 4.14 | 11.93 | -44.41 | 1 | 6 | 1 | 67 | 378.452 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 11.99 | -45.82 | 1 | 6 | 1 | 67 | 378.452 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 9.61 | -11.51 | 0 | 6 | 0 | 65 | 377.444 | 6 | ↓ |