In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 18 | Yes |
Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-hydroxy-3-pyridyl)methanone [(8aR)-3,4,6,7,8,8a-hexahydro-1H…
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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) | -0.44 | 4.44 | -49.48 | 2 | 5 | 1 | 58 | 248.306 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.44 | 2.3 | -21.84 | 1 | 5 | 0 | 56 | 247.298 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.