In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 30 | Yes |
Popular Name: 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyridylmethyl)-1,3-benzothiazole-6-carboxamide 2-[(4-fluorophenyl)sulfonylamino…
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) | 2.76 | 5.77 | -15.86 | 2 | 7 | 0 | 101 | 442.497 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 5.82 | -41.04 | 1 | 7 | -1 | 103 | 441.489 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 6.05 | -50.13 | 3 | 7 | 1 | 102 | 443.505 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.68 | 5.93 | -15.46 | 2 | 7 | 0 | 104 | 442.497 | 5 | ↓ |