| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 20 | Yes |
Popular Name: 1-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]piperidine-4-carboxamide 1-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…
| 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) | 1.74 | 2.78 | -53.48 | 4 | 5 | 1 | 80 | 280.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 1.51 | -21.42 | 3 | 5 | 0 | 75 | 279.384 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
