In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2012 | 22 | Yes |
Popular Name: N-isopropyl-2-[3-(3-pyridyl)azetidin-1-yl]pyridine-4-carboxamide N-isopropyl-2-[3-(3-pyridyl)azet…
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) | 1.18 | 6.78 | -15.72 | 1 | 5 | 0 | 58 | 296.374 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 7.28 | -41.77 | 2 | 5 | 1 | 59 | 297.382 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.