In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 24 | Yes |
Popular Name: N-[2-[4-[1-(3-methyl-2-pyridyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide N-[2-[4-[1-(3-methyl-2-pyridyl)p…
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) | 1.05 | 8.62 | -51.12 | 2 | 6 | 1 | 64 | 326.424 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 6.34 | -14.8 | 1 | 6 | 0 | 63 | 325.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.