| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | No |
Popular Name: 4-Methyl-5-(3-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol 4-Methyl-5-(3-methyl-pyrazol-1-y…
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CAS Number: 1001567-70-9
| 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) | -0.18 | 5.72 | -18.63 | 1 | 5 | 0 | 51 | 209.278 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 5.52 | -48.66 | 0 | 5 | -1 | 49 | 208.27 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.