| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 20 | No |
Popular Name: 4-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-2-pyrimidinethiol 4-[3-(4-chlorophenyl)-5-methyl-4…
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CAS Number: 685542-51-2
| 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) | 2.66 | 7.97 | -27.72 | 1 | 4 | 0 | 55 | 303.774 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 8.01 | -18.95 | 1 | 4 | 0 | 55 | 303.774 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.