In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 18 | Yes |
Popular Name: 4-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]methyl]benzonitrile 4-[[(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) | 1.78 | 7.4 | -37.52 | 1 | 3 | 1 | 31 | 242.346 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.78 | 5.24 | -5.25 | 0 | 3 | 0 | 30 | 241.338 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.