| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 19 | Yes |
Popular Name: 3-[[2-[(2R)-2-aminobutyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[2-[(2R)-2-aminobutyl]imidazo…
| 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 | 5.1 | -60.01 | 3 | 5 | 1 | 82 | 256.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 5.6 | -120.97 | 4 | 5 | 2 | 83 | 257.341 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
