In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 16 | Yes |
Popular Name: 4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-butanoic 4-[(8aS)-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) | -0.27 | 6.02 | -64.73 | 1 | 5 | 0 | 65 | 226.276 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.27 | 3.8 | -45.27 | 0 | 5 | -1 | 64 | 225.268 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.27 | 4.05 | -41 | 2 | 5 | 1 | 62 | 227.284 | 3 | ↓ |