In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | Yes |
Popular Name: (1S,8aR)-N-[(1R)-1-(2,3,4-trichlorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1R)-1-(2,3,4-trichl…
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) | 4.99 | 9.68 | -37.03 | 2 | 2 | 1 | 16 | 348.725 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 8.23 | -45.35 | 2 | 2 | 1 | 20 | 348.725 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.99 | 10.48 | -117.26 | 3 | 2 | 2 | 21 | 349.733 | 3 | ↓ |