In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 25 | No |
Popular Name: 5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one 5-[(3-bromo-4-hydroxy-5-methoxy-…
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) | 5.58 | 6.8 | -12.21 | 2 | 5 | 0 | 75 | 439.718 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.03 | 4.78 | -44.95 | 1 | 5 | -1 | 78 | 438.71 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.58 | 7.44 | -49.83 | 1 | 5 | -1 | 78 | 438.71 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.03 | 5.7 | -105.85 | 0 | 5 | -2 | 81 | 437.702 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.03 | 5.26 | -42.27 | 1 | 5 | -1 | 78 | 438.71 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.03 | 6.19 | -102.37 | 0 | 5 | -2 | 81 | 437.702 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.58 | 7.72 | -49.16 | 1 | 5 | -1 | 78 | 438.71 | 3 | ↓ |