In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 25 | No |
Popular Name: (5Z)-5-[(3-bromo-5-chloro-4-hydroxy-phenyl)methylene]-2-(4-ethylanilino)thiazol-4-one (5Z)-5-[(3-bromo-5-chloro-4-hydr…
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) | 6.68 | 7.57 | -8.18 | 2 | 4 | 0 | 65 | 437.746 | 3 | ↓ |
Hi High (pH 8-9.5) | 7.14 | 6.32 | -90.11 | 0 | 4 | -2 | 71 | 435.73 | 3 | ↓ |
Hi High (pH 8-9.5) | 7.14 | 7.01 | -90.18 | 0 | 4 | -2 | 71 | 435.73 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.68 | 8.34 | -35.41 | 1 | 4 | -1 | 68 | 436.738 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.68 | 8.75 | -35.76 | 1 | 4 | -1 | 68 | 436.738 | 3 | ↓ |