| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (2R,3aR,7aS)-1-(2-methylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aR,7aS)-1-(2-methylpyrimidi…
| 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) | 0.90 | 8.68 | -56.58 | 2 | 5 | 1 | 72 | 262.333 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 8.66 | -49.88 | 0 | 5 | -1 | 69 | 260.317 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 8.25 | -32.22 | 1 | 5 | 0 | 70 | 261.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
