In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 24 | Yes |
Popular Name: 4-methyl-N-(2-morpholinoethyl)-1,1-dioxo-5-(p-tolyl)isothiazol-3-amine 4-methyl-N-(2-morpholinoethyl)-1…
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) | 1.97 | 2.54 | -21.58 | 1 | 6 | 0 | 71 | 349.456 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 4.02 | -43.28 | 1 | 6 | 0 | 74 | 349.456 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 1.69 | -42.25 | 0 | 6 | -1 | 73 | 348.448 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | 4.86 | -63.84 | 2 | 6 | 1 | 72 | 350.464 | 5 | ↓ |