| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2006 | 15 | No |
Popular Name: 4-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-pyrimidine-2-thiol 4-(1-Ethyl-5-methyl-1H-pyrazol-4…
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CAS Number: 1002243-80-2
| 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) | 0.65 | 5.96 | -25.13 | 1 | 4 | 0 | 47 | 220.301 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.5 | -47.48 | 0 | 4 | -1 | 44 | 219.293 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.