| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: (2S,3aR,7aS)-2-[(4-isobutylpiperazin-1-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2S,3aR,7aS)-2-[(4-isobutylpiper…
| 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) | 3.93 | 7.75 | -91.2 | 3 | 3 | 2 | 24 | 281.488 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 5.78 | -32.5 | 2 | 3 | 1 | 23 | 280.48 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
