In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2009 | 34 | Yes |
Popular Name: 4-tert-butyl-N-[3-(morpholine-4-carbonyl)-4-piperazin-1-yl-phenyl]benzenesulfonamide 4-tert-butyl-N-[3-(morpholine-4-…
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) | 2.55 | 5.54 | -55.06 | 3 | 8 | 1 | 96 | 487.646 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 4.12 | -14.8 | 2 | 8 | 0 | 91 | 486.638 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 5.62 | -72.01 | 2 | 8 | 0 | 98 | 486.638 | 6 | ↓ |