In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 24 | Yes |
Popular Name: (4R)-1-[(2-chlorophenyl)methyl]-4-(3-pyridyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-[(2-chlorophenyl)methyl]-…
None
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) | 2.49 | 6.4 | -11.24 | 1 | 5 | 0 | 63 | 338.798 | 3 | ↓ |
Ref Reference (pH 7) | 2.30 | 8.13 | -13.37 | 1 | 5 | 0 | 60 | 338.798 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.49 | 6.88 | -40.48 | 2 | 5 | 1 | 65 | 339.806 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 8.63 | -43.18 | 2 | 5 | 1 | 61 | 339.806 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.