In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2008 | 21 | No |
Popular Name: (2E,5E)-2-(2-chlorophenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one (2E,5E)-2-(2-chlorophenyl)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) | 4.04 | 7.22 | -9.39 | 1 | 4 | 0 | 58 | 315.785 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.49 | 5.22 | -43.77 | 0 | 4 | -1 | 61 | 314.777 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.49 | 5.69 | -40.76 | 0 | 4 | -1 | 61 | 314.777 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 7.5 | -41.98 | 2 | 4 | 1 | 59 | 316.793 | 2 | ↓ |