| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 19 | Yes |
Popular Name: 3-[[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]methyl]benzamide 3-[[[(1S)-2-imidazol-1-yl-1-meth…
| 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) | 0.30 | 5.19 | -49.56 | 4 | 5 | 1 | 78 | 259.333 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 3.94 | -12.92 | 3 | 5 | 0 | 73 | 258.325 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 5.71 | -109.03 | 5 | 5 | 2 | 79 | 260.341 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
