In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 25 | No |
Popular Name: (2Z,5E)-5-[(2-chloro-5-nitro-phenyl)methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one (2Z,5E)-5-[(2-chloro-5-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) | 5.84 | 9.87 | -11.52 | 1 | 6 | 0 | 91 | 394.239 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.29 | 7.6 | -49.15 | 0 | 6 | -1 | 94 | 393.231 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.29 | 8.07 | -46.53 | 0 | 6 | -1 | 94 | 393.231 | 3 | ↓ |