| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 28 | Yes |
Popular Name: 1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-4-isopropyl-piperazine 1-[(3-butyl-2-isohexylsulfonyl-i…
| 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) | 3.76 | 8.84 | -46.88 | 1 | 6 | 1 | 60 | 413.652 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 8.96 | -50.7 | 1 | 6 | 1 | 60 | 413.652 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 6.56 | -12.91 | 0 | 6 | 0 | 58 | 412.644 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
