In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 24 | Yes |
Popular Name: N-(5-cyano-2-methyl-phenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-sulfonamide N-(5-cyano-2-methyl-phenyl)-1,3-…
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) | 2.06 | 5.33 | -41.05 | 0 | 7 | -1 | 103 | 340.388 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.06 | 5.26 | -14.21 | 1 | 7 | 0 | 101 | 341.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.