In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 29 | Yes |
Popular Name: 2-[4-(2-pyridyl)piperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide 2-[4-(2-pyridyl)piperazin-1-yl]-…
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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) | 3.56 | 7.87 | -37.71 | 2 | 7 | 1 | 68 | 395.483 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 7.56 | -15.45 | 1 | 7 | 0 | 67 | 394.475 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 10.04 | -102.83 | 3 | 7 | 2 | 69 | 396.491 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.