In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 21 | No |
Popular Name: (2E,5Z)-2-(4-chlorophenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one (2E,5Z)-2-(4-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) | 3.59 | 6.37 | -37.69 | 0 | 4 | -1 | 57 | 314.777 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 4.49 | -42.56 | 0 | 4 | -1 | 61 | 314.777 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 5.17 | -41.44 | 0 | 4 | -1 | 61 | 314.777 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.08 | 7.17 | -47.1 | 2 | 4 | 1 | 59 | 316.793 | 2 | ↓ |