In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 23 | Yes |
Popular Name: 1-methyl-5-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[[3-(2,2,2-trifluoroe…
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) | 1.83 | 8.51 | -34.25 | 1 | 4 | 1 | 32 | 326.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 8.04 | -11.64 | 0 | 4 | 0 | 30 | 325.334 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 10.27 | -44.22 | 1 | 4 | 1 | 31 | 326.342 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.