| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 23 | Yes |
Popular Name: N-[3-[4-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]acetamide N-[3-[4-[(5-chloro-1-methyl-imid…
| 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) | -0.40 | 4.36 | -23.84 | 1 | 7 | 0 | 70 | 341.843 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 4.59 | -44.28 | 2 | 7 | 1 | 72 | 342.851 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 6.22 | -60.7 | 2 | 7 | 1 | 72 | 342.851 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 6.4 | -124.29 | 3 | 7 | 2 | 73 | 343.859 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
