| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-yl]acetamide 2-[4-(3-methyl-5-nitro-imidazol-…
| 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) | -0.80 | 6.59 | -59.22 | 3 | 9 | 1 | 114 | 283.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | 4.93 | -19.83 | 2 | 9 | 0 | 113 | 282.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | 7.05 | -106.87 | 4 | 9 | 2 | 116 | 284.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
