| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-isobutylpiperazin-1-yl)methanone [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-…
| 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) | 3.25 | 6.02 | -36.01 | 2 | 4 | 1 | 40 | 294.463 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 7.93 | -96.18 | 3 | 4 | 2 | 41 | 295.471 | 3 | ↓ |
