In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 19 | Yes |
Popular Name: 3-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile 3-[(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) | 0.54 | 6.89 | -43.6 | 2 | 5 | 1 | 74 | 253.285 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 6.42 | -12.82 | 1 | 5 | 0 | 73 | 252.277 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 6.87 | -49.46 | 2 | 5 | 1 | 74 | 253.285 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.