In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 19 | Yes |
Popular Name: 2-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propanenitrile 2-methyl-2-[4-(2-thienylsulfonyl…
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) | 1.69 | 2.14 | -12.82 | 0 | 5 | 0 | 64 | 299.421 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.69 | 4.22 | -49.67 | 1 | 5 | 1 | 66 | 300.429 | 3 | ↓ |