| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | No |
Popular Name: (2R)-2-(1,1-dioxo-1,4-thiazepan-4-yl)-N-(4-nitrophenyl)propanamide (2R)-2-(1,1-dioxo-1,4-thiazepan-…
| 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) | 0.97 | 4.44 | -70.2 | 2 | 8 | 1 | 114 | 342.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 2.84 | -41.24 | 1 | 8 | 0 | 120 | 341.389 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 2.77 | -22.24 | 1 | 8 | 0 | 112 | 341.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
