| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: 2-(4-tetrahydropyran-4-yl-1,4-diazepan-1-yl)ethanamine 2-(4-tetrahydropyran-4-yl-1,4-di…
| 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) | -0.32 | 2.04 | -92.59 | 4 | 4 | 2 | 45 | 229.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 1.81 | -117.14 | 4 | 4 | 2 | 45 | 229.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 1.42 | -32.95 | 3 | 4 | 1 | 43 | 228.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | -0.01 | -42.94 | 3 | 4 | 1 | 43 | 228.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
