| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | Yes |
Popular Name: 4-[(4R)-1,2,3,4-tetrahydroisoquinolin-4-yl]-1,4-oxazepane 4-[(4R)-1,2,3,4-tetrahydroisoqui…
| 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) | 1.41 | 4.27 | -32.85 | 2 | 3 | 1 | 26 | 233.335 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 2.87 | -3.21 | 1 | 3 | 0 | 24 | 232.327 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 4.18 | -42.78 | 2 | 3 | 1 | 29 | 233.335 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
