| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | No |
Popular Name: (3R)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-methyl-1,4-diazepan…
| 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) | -0.19 | 1.89 | -112.48 | 3 | 5 | 2 | 58 | 277.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | -1.8 | -10.77 | 1 | 5 | 0 | 53 | 275.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 0.72 | -42.73 | 2 | 5 | 1 | 54 | 276.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
