In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 34 | Yes |
Popular Name: N-butyl-N-ethyl-2-piperazin-1-yl-5-[(4-propylphenyl)sulfonylamino]benzamide N-butyl-N-ethyl-2-piperazin-1-yl…
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) | 4.12 | 9.22 | -54.71 | 3 | 7 | 1 | 86 | 487.69 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.12 | 7.8 | -14.95 | 2 | 7 | 0 | 82 | 486.682 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.12 | 9.29 | -73.7 | 2 | 7 | 0 | 88 | 486.682 | 11 | ↓ |