In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2011 | 23 | Yes |
Popular Name: [(E)-but-2-enyl] [(E)-but-2-enyl]
None
None
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) | 2.59 | 8.24 | -13.3 | 0 | 6 | 0 | 70 | 308.341 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.59 | 8.7 | -45.06 | 1 | 6 | 1 | 71 | 309.349 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.