In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 28 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide N-(2-dimethylaminoethyl)-2-[(4-f…
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) | 3.55 | 6.47 | -62.64 | 3 | 7 | 1 | 96 | 423.515 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 5.93 | -68.77 | 2 | 7 | 0 | 95 | 422.507 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 3.94 | -21.85 | 2 | 7 | 0 | 95 | 422.507 | 6 | ↓ |