In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 24 | Yes |
Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]BLAHone [(8aS)-3,4,6,7,8,8a-hexahydro-1H…
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) | 0.11 | 6.99 | -23.01 | 0 | 5 | 0 | 46 | 323.396 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.11 | 9.22 | -50.45 | 1 | 5 | 1 | 47 | 324.404 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.