In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 17 | Yes |
Popular Name: 1-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-thienyl)ethanone 1-[(3aR)-3a,4,6,7-tetrahydroimid…
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) | 1.27 | 6.68 | -45.68 | 2 | 4 | 1 | 50 | 248.331 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 6.2 | -11.72 | 1 | 4 | 0 | 49 | 247.323 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 6.22 | -15.43 | 1 | 4 | 0 | 49 | 247.323 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.