In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 19 | Yes |
Popular Name: 1-[(11bS)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl]-2-methyl-propan-1-one 1-[(11bS)-1,3,4,6,7,11b-hexahydr…
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) | 2.25 | 6.35 | -9.2 | 0 | 3 | 0 | 24 | 258.365 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 8.5 | -45.47 | 1 | 3 | 1 | 25 | 259.373 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.