| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 20 | Yes |
Popular Name: (2S)-2-allyloxy-1-(4-thiazol-2-yl-1,4-diazepan-1-yl)propan-1-one (2S)-2-allyloxy-1-(4-thiazol-2-y…
| 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) | 1.57 | 7.65 | -13.18 | 0 | 5 | 0 | 46 | 295.408 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 8.02 | -40.6 | 1 | 5 | 1 | 47 | 296.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
