| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 29 | Yes |
Popular Name: 3-(4-cyclohexylpiperazin-1-yl)-5-(4-isopropylphenyl)-4-methyl-isothiazole 3-(4-cyclohexylpiperazin-1-yl)-5…
| 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) | 5.20 | 10.52 | -65.13 | 1 | 5 | 1 | 54 | 416.611 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.20 | 8.31 | -17.06 | 0 | 5 | 0 | 53 | 415.603 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
