| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 29 | Yes |
Popular Name: (2E,4E,6E,8E)-3,7-dimethyl-9-pyren-1-yl-nona-2,4,6,8-tetraenoic (2E,4E,6E,8E)-3,7-dimethyl-9-pyr…
| 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) | 7.27 | 15.25 | -59.75 | 0 | 2 | -1 | 40 | 377.463 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 7.27 | 14.66 | -12.34 | 1 | 2 | 0 | 37 | 378.471 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
