| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 17 | Yes |
Popular Name: 3-[[2-(2-aminoethyl)imidazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[2-(2-aminoethyl)imidazol-1-y…
| 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) | -0.40 | 3.58 | -68.23 | 3 | 5 | 1 | 82 | 228.279 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 3.19 | -12.34 | 2 | 5 | 0 | 81 | 227.271 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 4.05 | -124.73 | 4 | 5 | 2 | 83 | 229.287 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
