| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 21 | No |
Popular Name: 2-benzothiazol-2-yl-2-(3-nitro-2-pyridyl)-acetonitrile 2-benzothiazol-2-yl-2-(3-nitro-2…
| 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) | 2.58 | 0.98 | -14.9 | 0 | 6 | 0 | 95 | 296.311 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 1.23 | -45.11 | 0 | 6 | 1 | 95 | 296.311 | 3 | ↓ |
