| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 21 | Yes |
Popular Name: (2S,3aS,7aS)-N-[(1S)-1-(2-thienyl)butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-[(1S)-1-(2-thieny…
| 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) | 4.91 | 7.98 | -38.91 | 3 | 3 | 1 | 46 | 307.483 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.91 | 6.72 | -8.67 | 2 | 3 | 0 | 41 | 306.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
