| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | Yes |
Popular Name: (2R,3aR,7aS)-N-(4-isopropylthiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(4-isopropylthiaz…
| 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) | 4.02 | 6.08 | -41.21 | 3 | 4 | 1 | 59 | 294.444 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 4.51 | -33.08 | 2 | 4 | 0 | 65 | 293.436 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
