In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: 2-[5-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-2-thienyl]acetic 2-[5-[[(8aR)-3,4,6,7,8,8a-hexahy…
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) | 1.14 | 5.9 | -70.38 | 1 | 6 | 0 | 82 | 330.431 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 3.77 | -46.62 | 0 | 6 | -1 | 81 | 329.423 | 4 | ↓ |