| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | No |
Popular Name: 2-ethylsulfonyl-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone 2-ethylsulfonyl-1-[4-[(2-methylt…
| 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) | -0.12 | 5.2 | -60.19 | 1 | 6 | 1 | 72 | 346.498 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 3.32 | -29.13 | 0 | 6 | 0 | 71 | 345.49 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
