| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 33 | Yes |
Popular Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[(S)-phenyl(4-pyridyl)methyl]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) | 5.07 | 10.68 | -9.69 | 0 | 5 | 0 | 54 | 463.647 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 11.14 | -41.98 | 1 | 5 | 1 | 55 | 464.655 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 12.64 | -46.95 | 1 | 5 | 1 | 55 | 464.655 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.07 | 13.1 | -112.69 | 2 | 5 | 2 | 56 | 465.663 | 6 | ↓ |
