| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 18 | Yes |
Popular Name: [(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone [(2R,3aS,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) | 2.13 | 3.66 | -41.46 | 2 | 4 | 1 | 40 | 252.382 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 2.48 | -6.55 | 1 | 4 | 0 | 36 | 251.374 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 6.07 | -98.36 | 3 | 4 | 2 | 41 | 253.39 | 1 | ↓ |
