| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2013 | 22 | Yes |
1-Oxo-2-(1-pyridin-4-ylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
| 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) | 0.45 | 6.24 | -69.15 | 0 | 6 | -1 | 83 | 299.306 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 6.7 | -91.72 | 1 | 6 | 0 | 84 | 300.314 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.