| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 26 | Yes |
Popular Name: 5-(4-isopropylphenyl)-4-methyl-N-(2-morpholinoethyl)-1,1-dioxo-isothiazol-3-amine 5-(4-isopropylphenyl)-4-methyl-N…
| 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) | 3.04 | 3.73 | -21.69 | 1 | 6 | 0 | 71 | 377.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 5.1 | -42.79 | 1 | 6 | 0 | 74 | 377.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 2.76 | -41.56 | 0 | 6 | -1 | 73 | 376.502 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 6.07 | -64.28 | 2 | 6 | 1 | 72 | 378.518 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
