| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | No |
Popular Name: (2R,4S)-4-tert-butyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexanone (2R,4S)-4-tert-butyl-2-(1,4-thia…
| 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) | 3.29 | 10.22 | -40.46 | 1 | 2 | 1 | 22 | 284.489 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 8.93 | -4.81 | 0 | 2 | 0 | 20 | 283.481 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
