In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 18 | Yes |
Popular Name: (3aR,4S)-4-[(4R)-2-butyl-4H-imidazol-4-yl]-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4S)-4-[(4R)-2-butyl-4H-imid…
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) | 1.73 | 5.51 | -37.02 | 4 | 5 | 1 | 74 | 246.338 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 4.05 | -9.88 | 3 | 5 | 0 | 69 | 245.33 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 4.51 | -37.12 | 4 | 5 | 1 | 71 | 246.338 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 4.92 | -86.71 | 5 | 5 | 2 | 72 | 247.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.