| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2011 | 17 | Yes |
Popular Name: N-[2-[(2S)-2-methyl-1,4-oxazepan-4-yl]ethyl]tetrahydropyran-4-amine N-[2-[(2S)-2-methyl-1,4-oxazepan…
| 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) | 0.98 | 2.33 | -43.65 | 2 | 4 | 1 | 38 | 243.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 1.16 | -3.59 | 1 | 4 | 0 | 34 | 242.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 4.28 | -124.75 | 3 | 4 | 2 | 40 | 244.379 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
