In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 21 | Yes |
Popular Name: 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylic 5-bromo-4-[4-(2-hydroxyethyl)pip…
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) | 0.84 | -0.65 | -47.98 | 1 | 7 | -1 | 101 | 398.28 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 1.66 | -68.46 | 2 | 7 | 0 | 102 | 399.288 | 5 | ↓ |