In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 19 | Yes |
Popular Name: 2-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]isoindolin-5-amine 2-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…
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) | 1.42 | 5.35 | -35.46 | 3 | 3 | 1 | 34 | 258.389 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 5.01 | -31.14 | 3 | 3 | 1 | 34 | 258.389 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.