In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2007 | 33 | No |
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) | 5.97 | 9.87 | -19.6 | 2 | 6 | 0 | 81 | 480.973 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.97 | 9.41 | -43.47 | 1 | 6 | -1 | 83 | 479.965 | 8 | ↓ |
Popular Name: 5-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-2-(4-chlorophenyl)amino-thiazol-4-one 5-[(4-benzyloxy-3-ethoxy-phenyl)…
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) | 6.94 | 12.72 | -10.72 | 1 | 5 | 0 | 64 | 464.974 | 7 | ↓ |
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) | 5.59 | 8.95 | -19.87 | 2 | 6 | 0 | 81 | 466.946 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.59 | 8.49 | -43.71 | 1 | 6 | -1 | 83 | 465.938 | 7 | ↓ |