In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2007 | 27 | Yes |
Popular Name: 4-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-yl]sulfonylbenzonitrile 4-[4-(2-hydroxy-5-methyl-benzoyl…
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) | 2.37 | 4.55 | -18.39 | 1 | 7 | 0 | 102 | 385.445 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 5.34 | -57.29 | 0 | 7 | -1 | 105 | 384.437 | 3 | ↓ |