In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 19 | Yes |
Popular Name: 1-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]cycloheptanol 1-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-o…
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) | 2.99 | 4.86 | -37.78 | 3 | 3 | 1 | 40 | 267.437 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 6.34 | -32.01 | 3 | 3 | 1 | 37 | 267.437 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.