In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 33 | Yes |
Popular Name: 6-[(2,4-dioxo-5-BLAHyl-pyrimidin-1-yl)methyl]pyridine-2-carboxylic 6-[(2,4-dioxo-5-BLAHyl-pyrimidin…
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) | 2.88 | 11.16 | -52.25 | 1 | 7 | -1 | 108 | 436.447 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 11.62 | -52.94 | 2 | 7 | 0 | 109 | 437.455 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.