In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 26 | No |
Popular Name: 5-(2-chloro-6-fluorobenzylidene)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazolidin-4-one 5-(2-chloro-6-fluorobenzylidene)…
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) | 6.26 | 9.51 | -8.58 | 1 | 3 | 0 | 45 | 400.784 | 3 | ↓ |
Ref Reference (pH 7) | 6.26 | 9.93 | -8.16 | 1 | 3 | 0 | 45 | 400.784 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.72 | 7.5 | -47.23 | 0 | 3 | -1 | 48 | 399.776 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.72 | 8.19 | -43.65 | 0 | 3 | -1 | 48 | 399.776 | 3 | ↓ |