| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 21 | No |
Popular Name: (2Z,5Z)-2-(4-fluorophenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one (2Z,5Z)-2-(4-fluorophenyl)imino-…
| 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) | 3.57 | 6.03 | -8.21 | 1 | 4 | 0 | 58 | 299.33 | 2 | ↓ |
| Ref Reference (pH 7) | 3.57 | 6.45 | -8.37 | 1 | 4 | 0 | 58 | 299.33 | 2 | ↓ |
| Ref Reference (pH 7) | 3.08 | 5.92 | -37.71 | 0 | 4 | -1 | 57 | 298.322 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 4.03 | -42.41 | 0 | 4 | -1 | 61 | 298.322 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 4.72 | -41.44 | 0 | 4 | -1 | 61 | 298.322 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 6.32 | -46.35 | 2 | 4 | 1 | 59 | 300.338 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
