| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: 1-[4-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]-1,4-diazepan-1-yl]ethanone 1-[4-[(4S)-1,2,3,4-tetrahydroiso…
| 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) | 0.82 | 6 | -38.1 | 2 | 4 | 1 | 37 | 274.388 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 6 | -45.85 | 2 | 4 | 1 | 40 | 274.388 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 4.72 | -8.21 | 1 | 4 | 0 | 36 | 273.38 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
