| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: [(2S)-1,4-dioxan-2-yl]-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone [(2S)-1,4-dioxan-2-yl]-(2,3,4,5-…
| 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) | 0.36 | 4.55 | -56.43 | 2 | 5 | 1 | 55 | 263.317 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 3.29 | -12.39 | 1 | 5 | 0 | 51 | 262.309 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
