In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | Yes |
Popular Name: 4-[[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]morpholine 4-[[(2R,3aR,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) | 2.76 | 3.61 | -34.46 | 2 | 3 | 1 | 29 | 225.356 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 5.62 | -117 | 3 | 3 | 2 | 30 | 226.364 | 2 | ↓ |