In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: (1S,8R)-N-[(2-allyloxyphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(2-allyloxyphenyl)met…
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) | 2.69 | 6.05 | -35.65 | 2 | 3 | 1 | 29 | 273.4 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.69 | 8.55 | -103.31 | 3 | 3 | 2 | 30 | 274.408 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.69 | 7.35 | -31.29 | 2 | 3 | 1 | 26 | 273.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.