| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: (4S)-4-isoindolin-2-yl-1,2,3,4-tetrahydroisoquinoline (4S)-4-isoindolin-2-yl-1,2,3,4-t…
| 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) | 2.28 | 7.27 | -34.58 | 2 | 2 | 1 | 16 | 251.353 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 5.04 | -3.41 | 1 | 2 | 0 | 15 | 250.345 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 6.42 | -45.83 | 2 | 2 | 1 | 20 | 251.353 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
