In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 19 | Yes |
Popular Name: 1-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone 1-[(3aR)-3a,4,6,7-tetrahydroimid…
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) | 1.51 | 7.61 | -46.77 | 2 | 4 | 1 | 50 | 260.292 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 7.14 | -12.27 | 1 | 4 | 0 | 49 | 259.284 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 7.15 | -16.39 | 1 | 4 | 0 | 49 | 259.284 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.