In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 24 | No |
Popular Name: 2-ethoxy-6-[(E)-[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol 2-ethoxy-6-[(E)-[2-methoxy-5-(tr…
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) | 4.27 | 5.5 | -9.8 | 1 | 4 | 0 | 51 | 339.313 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 7.56 | -54.06 | 0 | 4 | -1 | 54 | 338.305 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 6.32 | -47.45 | 0 | 4 | -1 | 54 | 338.305 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.27 | 7.09 | -8.15 | 2 | 4 | 0 | 53 | 340.321 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.27 | 5.93 | -34.82 | 2 | 4 | 1 | 53 | 340.321 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.