In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 19 | No |
Popular Name: 4-Benzyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol 4-Benzyl-5-pyridin-3-yl-4H-[1,2,…
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CAS Number: 129119-80-8
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) | 2.81 | 8.66 | -46.39 | 0 | 4 | -1 | 44 | 267.337 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 8.15 | -10.85 | 1 | 4 | 0 | 47 | 268.345 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 179 - 181 | Enamine Building Blocks |
MP | 179...181 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |