In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 23 | No |
Popular Name: (5Z)-2-(2,5-dimethylanilino)-5-[(2-hydroxyphenyl)methylene]thiazol-4-one (5Z)-2-(2,5-dimethylanilino)-5-[…
None
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) | 5.41 | 6.59 | -9.08 | 2 | 4 | 0 | 65 | 324.405 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.41 | 7.36 | -42.02 | 1 | 4 | -1 | 68 | 323.397 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.92 | 7.08 | -103.93 | 0 | 4 | -2 | 67 | 322.389 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.92 | 6.3 | -46.49 | 1 | 4 | -1 | 64 | 323.397 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.92 | 6.91 | -15.77 | 2 | 4 | 0 | 62 | 324.405 | 3 | ↓ |