In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 27 | No |
Popular Name: N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-(3-pyridyl)oxamide N'-[2-[4-(4-fluorophenyl)piperaz…
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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) | 0.93 | 5.39 | -53.76 | 3 | 7 | 1 | 79 | 372.424 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 2.3 | -47.88 | 1 | 7 | -1 | 84 | 370.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 3.16 | -9.76 | 2 | 7 | 0 | 78 | 371.416 | 6 | ↓ |