In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2009 | 35 | Yes |
Popular Name: 4-tert-butyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperazin-1-yl-phenyl]benzenesulfonamide 4-tert-butyl-N-[3-(4-methylpiper…
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) | 3.85 | 8.53 | -52.94 | 3 | 7 | 1 | 86 | 499.701 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 7.11 | -14.43 | 2 | 7 | 0 | 82 | 498.693 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 8.6 | -70.21 | 2 | 7 | 0 | 88 | 498.693 | 6 | ↓ |