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-hydroxyphenyl)methanone [(8aR)-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) | 1.67 | 5.28 | -41.19 | 2 | 4 | 1 | 45 | 247.318 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 4.03 | -55.33 | 0 | 4 | -1 | 47 | 245.302 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 3.13 | -9.18 | 1 | 4 | 0 | 44 | 246.31 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.