In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 27 | Yes |
Popular Name: 2-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyridine-3-carboxamide 2-[4-[4-(3,3,3-trifluoropropyl)p…
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) | 2.05 | 8.52 | -14.64 | 2 | 7 | 0 | 88 | 380.374 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 8.98 | -44.25 | 3 | 7 | 1 | 89 | 381.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.