In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 18 | Yes |
Popular Name: (1S,8R)-N-[(1R)-1-(4-iodophenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-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) | 3.68 | 6.83 | -41.71 | 2 | 2 | 1 | 20 | 357.259 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.68 | 5.81 | -2.08 | 1 | 2 | 0 | 15 | 356.251 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.68 | 8.32 | -34.54 | 2 | 2 | 1 | 16 | 357.259 | 3 | ↓ |