In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 13 | Yes |
Popular Name: (10bR)-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole (10bR)-1,2,3,4,6,10b-hexahydropy…
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) | 0.81 | 3.22 | -41.28 | 2 | 2 | 1 | 20 | 175.255 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 1.88 | -3.43 | 1 | 2 | 0 | 15 | 174.247 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 5.5 | -115.76 | 3 | 2 | 2 | 21 | 176.263 | 0 | ↓ |