In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 33 | No |
Popular Name: 2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide 2-[4-[2-(4-ethylphenoxy)acetyl]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) | 3.78 | 11.02 | -45.56 | 1 | 8 | 0 | 95 | 465.579 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.78 | 8.8 | -48.24 | 0 | 8 | -1 | 94 | 464.571 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 9.87 | -25.91 | 1 | 8 | 0 | 88 | 465.579 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 12.1 | -66.2 | 2 | 8 | 1 | 89 | 466.587 | 8 | ↓ |