In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: (1R,8R)-N-[(1S)-1-(4-chlorophenyl)butyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S)-1-(4-chloropheny…
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) | 3.43 | 8.22 | -40.83 | 2 | 2 | 1 | 20 | 293.862 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 7.58 | -1.97 | 1 | 2 | 0 | 15 | 292.854 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 10.07 | -33.46 | 2 | 2 | 1 | 16 | 293.862 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 10.71 | -110.09 | 3 | 2 | 2 | 21 | 294.87 | 5 | ↓ |