In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | Yes |
Popular Name: 2-[4-(4-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine dihydrochloride 2-[4-(4-fluorophenyl)-1H-imidazo…
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CAS Numbers: 1154886-54-0 , 1354954-23-6
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 | 3.62 | -50.75 | 4 | 3 | 1 | 56 | 206.244 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 4.03 | -113.94 | 5 | 3 | 2 | 58 | 207.252 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 4.05 | -113.94 | 5 | 3 | 2 | 58 | 207.252 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 267 - 269 | Enamine Building Blocks |
MP | 267...269 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |