In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 23 | Yes |
Popular Name: 1-methyl-5-[3-(3-pyridyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic 1-methyl-5-[3-(3-pyridyl)propano…
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) | 0.62 | 6.85 | -56.3 | 0 | 7 | -1 | 91 | 313.337 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.62 | 7.32 | -65.1 | 1 | 7 | 0 | 92 | 314.345 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.