| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 16 | No |
Popular Name: (2R,4S)-4-methyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexanone (2R,4S)-4-methyl-2-(1,4-thiazepa…
| 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) | 1.96 | 8.93 | -34.84 | 1 | 2 | 1 | 22 | 242.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 7.41 | -5.21 | 0 | 2 | 0 | 20 | 241.4 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
