In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 26 | Yes |
Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,1-dioxo-5-phenyl-isothiazol-3-amine N-[(2,4-dimethoxyphenyl)methyl]-…
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) | 3.09 | 4.79 | -22.59 | 1 | 6 | 0 | 77 | 372.446 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 3.81 | -49.19 | 0 | 6 | -1 | 79 | 371.438 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.