| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 17 | Yes |
Popular Name: (2S,3aS,7aS)-N-thiazol-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-thiazol-2-yl-2,3,…
| 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) | 2.74 | 4.33 | -47.74 | 3 | 4 | 1 | 59 | 252.363 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 3.26 | -11.8 | 2 | 4 | 0 | 54 | 251.355 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 3.27 | -38.02 | 2 | 4 | 0 | 65 | 251.355 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
