| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 14 | Yes |
Popular Name: N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-methyl-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) | 3.29 | 6.92 | -109.56 | 3 | 2 | 2 | 21 | 198.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 4.94 | -29.55 | 2 | 2 | 1 | 20 | 197.346 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 5.66 | -32.24 | 2 | 2 | 1 | 16 | 197.346 | 3 | ↓ |
