| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 19 | No |
Popular Name: (5E)-3-(2-aminoethyl)-5-[(3-chloro-4-hydroxy-phenyl)methylene]thiazolidine-2,4-dione (5E)-3-(2-aminoethyl)-5-[(3-chlo…
| 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) | 0.74 | 1.6 | -46.84 | 4 | 5 | 1 | 87 | 299.759 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 1.98 | -41.53 | 2 | 5 | -1 | 88 | 297.743 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 1.2 | -8.07 | 3 | 5 | 0 | 85 | 298.751 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 2.37 | -65.91 | 3 | 5 | 0 | 90 | 298.751 | 3 | ↓ |
