In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 16th, 2008 | 26 | No |
Popular Name: (2E,5E)-2-(2-chlorophenyl)imino-5-[(4-diethylaminophenyl)methylene]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) | 6.13 | 11 | -9.25 | 1 | 4 | 0 | 48 | 385.92 | 5 | ↓ |
Ref Reference (pH 7) | 5.63 | 10.87 | -42.73 | 0 | 4 | -1 | 47 | 384.912 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.58 | 9.21 | -49.11 | 0 | 4 | -1 | 52 | 384.912 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.58 | 9.73 | -46.41 | 0 | 4 | -1 | 52 | 384.912 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.13 | 11.11 | -32.79 | 2 | 4 | 0 | 50 | 386.928 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.13 | 11.39 | -33.15 | 2 | 4 | 0 | 50 | 386.928 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.63 | 11 | -51.79 | 1 | 4 | 0 | 48 | 385.92 | 6 | ↓ |