In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 31 | Yes |
Popular Name: N-butyl-N-methyl-2-piperazin-1-yl-5-(p-tolylsulfonylamino)benzamide N-butyl-N-methyl-2-piperazin-1-y…
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) | 2.88 | 6.84 | -55.19 | 3 | 7 | 1 | 86 | 445.609 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 5.42 | -15.44 | 2 | 7 | 0 | 82 | 444.601 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 6.91 | -74.07 | 2 | 7 | 0 | 88 | 444.601 | 8 | ↓ |