In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: 5-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-1H-pyridin-2-one 5-[[(8aR)-3,4,6,7,8,8a-hexahydro…
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) | 0.13 | 2.25 | -50.35 | 2 | 6 | 1 | 75 | 284.361 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.58 | -1.92 | -45.78 | 0 | 6 | -1 | 77 | 282.345 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.13 | 0.12 | -13.1 | 1 | 6 | 0 | 73 | 283.353 | 2 | ↓ |