| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 24 | Yes |
Popular Name: 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-(2-pyridylmethyl)isothiazol-3-amine 5-(3,4-dimethylphenyl)-4-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) | 2.70 | 5.71 | -21.77 | 1 | 5 | 0 | 71 | 341.436 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.88 | -49.21 | 0 | 5 | -1 | 73 | 340.428 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 6.1 | -59.65 | 2 | 5 | 1 | 73 | 342.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
