| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 18 | No |
Popular Name: (2S)-2-methyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-one (2S)-2-methyl-1-phenyl-3-(1,4-th…
| 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) | 2.89 | 9.97 | -35.96 | 1 | 2 | 1 | 22 | 264.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 8.62 | -6.51 | 0 | 2 | 0 | 20 | 263.406 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
