In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 19 | No |
Popular Name: 2-[(E)-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]iminomethyl]-4-ethoxy-phenol 2-[(E)-[(3S)-1,1-dioxo-2,3-dihyd…
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) | 1.55 | 0.38 | -15.38 | 1 | 5 | 0 | 76 | 281.333 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 1.2 | -18.9 | 2 | 5 | 0 | 78 | 282.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.