In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 33 | Yes |
Popular Name: (2R)-4-benzyl-N-(3-cyanophenyl)-N'-(2-furylmethyl)piperazine-1,2-dicarboxamide (2R)-4-benzyl-N-(3-cyanophenyl)-…
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) | 2.46 | 9.03 | -17.4 | 2 | 8 | 0 | 102 | 443.507 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 11.31 | -61.45 | 3 | 8 | 1 | 103 | 444.515 | 6 | ↓ |