In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 17 | Yes |
Popular Name: (2R,6R)-1-[(5-bromo-2-thienyl)sulfonyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(5-bromo-2-thienyl)su…
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) | 2.09 | 3.07 | -48.9 | 2 | 4 | 1 | 54 | 340.288 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 1.74 | -7.02 | 1 | 4 | 0 | 49 | 339.28 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.