| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 23 | No |
Popular Name: N-isopropyl-2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-yl]acetamide N-isopropyl-2-[4-(3-methyl-5-nit…
| 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) | 0.75 | 8.15 | -62.9 | 2 | 9 | 1 | 100 | 325.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 5.9 | -25.39 | 1 | 9 | 0 | 99 | 324.385 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.75 | 8.61 | -105.59 | 3 | 9 | 2 | 102 | 326.401 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
