In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 26 | No |
Popular Name: 5-(2-chloro-6-fluorobenzylidene)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazolidin-4-one 5-(2-chloro-6-fluorobenzylidene)…
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) | 6.26 | 9.51 | -8.58 | 1 | 3 | 0 | 45 | 400.784 | 3 | ↓ |
Ref Reference (pH 7) | 6.26 | 9.93 | -8.16 | 1 | 3 | 0 | 45 | 400.784 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.72 | 7.5 | -47.23 | 0 | 3 | -1 | 48 | 399.776 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.72 | 8.19 | -43.65 | 0 | 3 | -1 | 48 | 399.776 | 3 | ↓ |
Popular Name: (2Z,5Z)-5-[(2-chloro-6-fluoro-phenyl)methylene]-3-methyl-2-(3-pyridylimino)thiazolidin-4-one (2Z,5Z)-5-[(2-chloro-6-fluoro-ph…
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) | 4.38 | 8.54 | -9.55 | 0 | 4 | 0 | 47 | 347.802 | 2 | ↓ |
Popular Name: 5-[(2-fluorophenyl)methylene]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one 5-[(2-fluorophenyl)methylene]-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) | 5.63 | 2.07 | -8.54 | 1 | 3 | 0 | 45 | 366.339 | 3 | ↓ |
Popular Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one 2-[4-chloro-3-(trifluoromethyl)p…
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) | 6.26 | 1.83 | -7.67 | 1 | 3 | 0 | 45 | 400.784 | 3 | ↓ |
Popular Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one 2-[2-chloro-5-(trifluoromethyl)p…
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) | 6.26 | 2.05 | -7.56 | 1 | 3 | 0 | 45 | 400.784 | 3 | ↓ |