In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 22 | Yes |
Popular Name: 1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(1-adamantyl)ethanone 1-[(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) | 3.15 | 10.28 | -39.46 | 1 | 3 | 1 | 25 | 303.47 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 8.16 | -5.54 | 0 | 3 | 0 | 24 | 302.462 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.