In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 29 | Yes |
Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-isothiazol-3-amine N-[(2,5-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) | 4.60 | 6.89 | -19.89 | 1 | 6 | 0 | 77 | 414.527 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 5.92 | -48.53 | 0 | 6 | -1 | 79 | 413.519 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.