In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 25 | Yes |
Popular Name: 3-methyl-6-phenyl-N-pyrimidin-2-yl-isoxazolo[5,4-b]pyridine-4-carboxamide 3-methyl-6-phenyl-N-pyrimidin-2-…
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) | 2.36 | 6.95 | -16.63 | 1 | 7 | 0 | 94 | 331.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 5.87 | -40.8 | 0 | 7 | -1 | 100 | 330.327 | 3 | ↓ |