In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 20 | Yes |
Popular Name: (3aR)-N-(2-ethylphenyl)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (3aR)-N-(2-ethylphenyl)-3a,4,6,7…
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) | 2.46 | 7.9 | -44.46 | 3 | 5 | 1 | 62 | 271.344 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 7.42 | -13.48 | 2 | 5 | 0 | 61 | 270.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.