In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 19 | No |
Popular Name: (8aR)-2-(2-fluoro-4-nitro-phenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-(2-fluoro-4-nitro-phenyl…
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) | 2.37 | 9.01 | -42 | 1 | 5 | 1 | 53 | 266.296 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 6.88 | -5.03 | 0 | 5 | 0 | 52 | 265.288 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.