| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 20 | Yes |
Popular Name: (2S,3aR,7aS)-N-(4-methylsulfanylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-(4-methylsulfanyl…
| 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) | 4.12 | 6.96 | -45.06 | 3 | 3 | 1 | 46 | 291.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 5.75 | -13.04 | 2 | 3 | 0 | 41 | 290.432 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
