| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 20 | No |
Popular Name: (1S,8aR)-1-methyl-2-[(3-nitrophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (1S,8aR)-1-methyl-2-[(3-nitrophe…
| 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) | 2.29 | 8.15 | -40.71 | 1 | 5 | 1 | 53 | 276.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.43 | -7.09 | 0 | 5 | 0 | 52 | 275.352 | 3 | ↓ |
