In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2009 | 15 | Yes |
Popular Name: 7-Piperazin-1-yl-thieno[2,3-c]Pyridine,hydrochloride 7-Piperazin-1-yl-thieno[2,3-c]Py…
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CAS Numbers: 850734-84-8 , 850734-85-9
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) | 1.33 | 3.98 | -44.43 | 2 | 3 | 1 | 33 | 220.321 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 2.56 | -7.02 | 1 | 3 | 0 | 28 | 219.313 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 4.28 | -97.14 | 3 | 3 | 2 | 34 | 221.329 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.