In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 21 | No |
Popular Name: 2-(3,5-dimethylphenyl)amino-5-(2-thienylmethylene)thiazol-4-one 2-(3,5-dimethylphenyl)amino-5-(2…
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) | 4.88 | 8.28 | -43.32 | 0 | 3 | -1 | 44 | 313.427 | 3 | ↓ |
Ref Reference (pH 7) | 5.37 | 8.39 | -7.69 | 1 | 3 | 0 | 45 | 314.435 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.82 | 7 | -48.12 | 0 | 3 | -1 | 48 | 313.427 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.82 | 6.33 | -49.1 | 0 | 3 | -1 | 48 | 313.427 | 2 | ↓ |