| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 29 | Yes |
Popular Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(4-pyridyl)propyl]piperazine (2R)-1-(4-tert-butylphenyl)sulfo…
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| 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) | 4.21 | 8.42 | -10.58 | 0 | 5 | 0 | 54 | 415.603 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 10.64 | -52.16 | 1 | 5 | 1 | 55 | 416.611 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.21 | 11.09 | -99.65 | 2 | 5 | 2 | 56 | 417.619 | 7 | ↓ |
