In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2009 | 27 | Yes |
Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone 1-(6,7-dihydro-4H-thieno[3,2-c]p…
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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) | 1.58 | 9.71 | -59.09 | 1 | 5 | 1 | 45 | 388.488 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 7.39 | -13.17 | 0 | 5 | 0 | 44 | 387.48 | 3 | ↓ |