In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 17 | Yes |
Popular Name: 2-(1-piperazin-1-ylethyl)-1,3-benzothiazole dihydrochloride 2-(1-piperazin-1-ylethyl)-1,3-be…
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CAS Numbers: 1052551-34-4 , 900641-48-7
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) | 1.76 | 3.87 | -43.9 | 2 | 3 | 1 | 33 | 248.375 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 2.45 | -7.15 | 1 | 3 | 0 | 28 | 247.367 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 243 - 245 | Enamine Building Blocks |
MP | 243...245 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |