In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2005 | 12 | Yes |
Popular Name: 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid 3-(3,5-dimethyl-1H-1,2,4-triazol…
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CAS Number: 842971-05-5
3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-propanoic acid
3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-propionic aci
3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-propionic acid
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) | -0.85 | 4.03 | -45.15 | 0 | 5 | -1 | 71 | 168.176 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 141 - 143 | Enamine Building Blocks |
MP | 141...143 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95+% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.