| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (2R)-2-methyl-4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]-1,4-oxazepane (2R)-2-methyl-4-[(4S)-1,2,3,4-te…
| 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) | 1.78 | 5.34 | -32.05 | 2 | 3 | 1 | 26 | 247.362 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 5.25 | -44.44 | 2 | 3 | 1 | 29 | 247.362 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 3.91 | -2.94 | 1 | 3 | 0 | 24 | 246.354 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
