In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 22 | Yes |
Popular Name: (11bS)-2-(2-thienylsulfonyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (11bS)-2-(2-thienylsulfonyl)-1,3…
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) | 2.66 | 4.85 | -10.03 | 0 | 4 | 0 | 41 | 334.466 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 7 | -44.14 | 1 | 4 | 1 | 42 | 335.474 | 2 | ↓ |