| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 17 | Yes |
Popular Name: (S)-benzofuran-2-yl-(1-methylimidazol-2-yl)methanamine (S)-benzofuran-2-yl-(1-methylimi…
| 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) | 1.63 | 5.25 | -32.51 | 3 | 4 | 1 | 58 | 228.275 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 4.62 | -11.89 | 2 | 4 | 0 | 57 | 227.267 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 4.96 | -45.33 | 3 | 4 | 1 | 59 | 228.275 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 5.56 | -111.9 | 4 | 4 | 2 | 60 | 229.283 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
