| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2009 | 14 | No |
Popular Name: 5-p-Tolyl-4H-[1,2,4]triazole-3-thiol 5-p-Tolyl-4H-[1,2,4]triazole-3-t…
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CAS Number: 64310-34-5
5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
LS-141741; Quinoline, 2-(2-chloroethylamino)-, hydrochloride; TL 1120
| 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) | 2.75 | 5.95 | -7.07 | 1 | 2 | 0 | 25 | 206.676 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 6.4 | -27.77 | 2 | 2 | 1 | 26 | 207.684 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.