In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 23 | Yes |
Popular Name: [(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-BLAHyl-methanone [(3R,8aR)-3-methyl-3,4,6,7,8,8a-…
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) | 2.59 | 7.21 | -12.06 | 0 | 5 | 0 | 41 | 346.481 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 9.14 | -45.52 | 1 | 5 | 1 | 42 | 347.489 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.