In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 19 | Yes |
Popular Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[methyl-[2-(methylamino)ethyl]amino]ethanone 1-(2,3-dihydro-1,4-benzothiazin-…
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) | 1.42 | 7.04 | -128.87 | 3 | 4 | 2 | 41 | 281.425 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 3.36 | -9.94 | 1 | 4 | 0 | 36 | 279.409 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 5.6 | -47 | 2 | 4 | 1 | 37 | 280.417 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 4.81 | -49.05 | 2 | 4 | 1 | 40 | 280.417 | 5 | ↓ |