| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | Yes |
Popular Name: 4-amino-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-imidazol-1-yl-…
| 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) | -0.29 | 2.78 | -17.66 | 4 | 6 | 0 | 89 | 233.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 3.29 | -43.43 | 5 | 6 | 1 | 90 | 234.283 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.73 | 1.44 | -93.77 | 5 | 6 | 2 | 88 | 235.291 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.73 | 0.93 | -56.61 | 4 | 6 | 1 | 87 | 234.283 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
