In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 27 | Yes |
Popular Name: N-(3-chloro-4-methoxy-phenyl)-5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-isothiazol-3-amine N-(3-chloro-4-methoxy-phenyl)-5-…
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) | 5.52 | 7.54 | -44.5 | 0 | 5 | -1 | 70 | 403.911 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.52 | 8.14 | -21.07 | 1 | 5 | 0 | 68 | 404.919 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.