| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: 1-[(2S,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-1,4-diazepane 1-[(2S,4R)-2-ethyl-2-methyl-tetr…
| 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) | 1.60 | 3.47 | -37.83 | 2 | 3 | 1 | 29 | 227.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 2.24 | -1.54 | 1 | 3 | 0 | 24 | 226.364 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 4.22 | -34.6 | 2 | 3 | 1 | 26 | 227.372 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 5.51 | -114.45 | 3 | 3 | 2 | 30 | 228.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
