| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 15 | Yes |
Popular Name: N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-ethyl-ethanamine N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,…
| 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) | 3.67 | 7.77 | -113.56 | 3 | 2 | 2 | 21 | 212.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 5.3 | -33.06 | 2 | 2 | 1 | 20 | 211.373 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 6.6 | -30.59 | 2 | 2 | 1 | 16 | 211.373 | 4 | ↓ |
