In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: 5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridin-2-one 5-[(8aR)-3,4,6,7,8,8a-hexahydro-…
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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) | -0.39 | 4.42 | -49.65 | 2 | 5 | 1 | 58 | 248.306 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.39 | 2.27 | -12.32 | 1 | 5 | 0 | 56 | 247.298 | 1 | ↓ |