In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 29 | Yes |
Popular Name: N-(3-chloro-4-cyano-phenyl)-3-methyl-6-(p-tolyl)isoxazolo[5,4-b]pyridine-4-carboxamide N-(3-chloro-4-cyano-phenyl)-3-me…
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) | 4.57 | 8.64 | -19.22 | 1 | 6 | 0 | 92 | 402.841 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.64 | 7.6 | -28.43 | 0 | 6 | -1 | 98 | 401.833 | 3 | ↓ |