In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: (1S,8aR)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[[4-(trifluoromethyl)…
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) | 3.44 | 8.48 | -35.1 | 2 | 2 | 1 | 16 | 299.36 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 7.36 | -48.14 | 2 | 2 | 1 | 20 | 299.36 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 9.62 | -120.83 | 3 | 2 | 2 | 21 | 300.368 | 4 | ↓ |