In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 19 | Yes |
Popular Name: (1S,8aR)-N-[(1R)-1-(4-iodophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1R)-1-(4-iodophenyl…
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) | 4.18 | 9.3 | -34.18 | 2 | 2 | 1 | 16 | 371.286 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 7.05 | -1.84 | 1 | 2 | 0 | 15 | 370.278 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.18 | 10.3 | -112.25 | 3 | 2 | 2 | 21 | 372.294 | 3 | ↓ |