In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 26 | No |
Popular Name: (5Z)-5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-2-(2-chloroanilino)thiazol-4-one (5Z)-5-[(3-bromo-4-hydroxy-5-nit…
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) | 5.68 | 8.44 | -41.73 | 1 | 7 | -1 | 114 | 453.681 | 3 | ↓ |
Ref Reference (pH 7) | 5.19 | 8.65 | -83.49 | 0 | 7 | -2 | 113 | 452.673 | 4 | ↓ |
Hi High (pH 8-9.5) | 6.13 | 6.92 | -92.43 | 0 | 7 | -2 | 117 | 452.673 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.68 | 7.43 | -15.38 | 2 | 7 | 0 | 111 | 454.689 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.19 | 7.65 | -37.24 | 1 | 7 | -1 | 110 | 453.681 | 4 | ↓ |