In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2008 | 26 | No |
Popular Name: (2E,5Z)-5-[(4-chloro-3-nitro-phenyl)methylene]-2-(2,3-dichlorophenyl)imino-thiazolidin-4-one (2E,5Z)-5-[(4-chloro-3-nitro-phe…
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) | 6.47 | 9.36 | -14.21 | 1 | 6 | 0 | 91 | 428.684 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.92 | 7.37 | -41.74 | 0 | 6 | -1 | 94 | 427.676 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.92 | 8.16 | -37.58 | 0 | 6 | -1 | 94 | 427.676 | 3 | ↓ |