| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 21 | Yes |
Popular Name: (2R,3aR,7aS)-1-(7H-purin-6-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aR,7aS)-1-(7H-purin-6-yl)-2…
| 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) | 1.43 | 9.74 | -47.75 | 1 | 7 | -1 | 98 | 286.315 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 9.01 | -34.26 | 2 | 7 | 0 | 99 | 287.323 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 6.92 | -40.29 | 2 | 7 | 0 | 99 | 287.323 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 6.67 | -37.89 | 2 | 7 | 0 | 99 | 287.323 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
