In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2011 | 37 | Yes |
Popular Name: butyl-[(1E,3E,5E)-5-(butylBLAHylidene)penta-1,3-dienyl]BLAH butyl-[(1E,3E,5E)-5-(butylBLAHyl…
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) | 6.39 | 22.29 | -25.14 | 0 | 2 | 1 | 9 | 483.679 | 9 | ↓ |
Lo Low (pH 4.5-6) | 6.39 | 22.09 | -49.51 | 1 | 2 | 0 | 8 | 484.687 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.