In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 21 | Yes |
Popular Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methyl-propanenitrile 2-[4-(3-methoxybenzoyl)piperazin…
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) | 1.42 | 4.45 | -12.26 | 0 | 5 | 0 | 57 | 287.363 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 6.51 | -48.93 | 1 | 5 | 1 | 58 | 288.371 | 3 | ↓ |