| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 21 | No |
Popular Name: 2-[(4-bromophenyl)imino]-5-(2-pyridinylmethylene)-1,3-thiazolidin-4-one 2-[(4-bromophenyl)imino]-5-(2-py…
| 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) | 4.28 | 7.46 | -8.44 | 1 | 4 | 0 | 58 | 360.236 | 2 | ↓ |
| Ref Reference (pH 7) | 4.28 | 7.88 | -8.55 | 1 | 4 | 0 | 58 | 360.236 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 5.46 | -47.44 | 0 | 4 | -1 | 61 | 359.228 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 6.14 | -46.09 | 0 | 4 | -1 | 61 | 359.228 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 7.34 | -37.19 | 2 | 4 | 1 | 59 | 361.244 | 2 | ↓ |
Popular Name: (2Z,5Z)-3-methyl-2-(2-pyridylimino)-5-(2-pyridylmethylene)thiazolidin-4-one (2Z,5Z)-3-methyl-2-(2-pyridylimi…
| 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) | 2.64 | 8.67 | -12.24 | 0 | 5 | 0 | 60 | 296.355 | 2 | ↓ |
Popular Name: (2Z,5Z)-3-methyl-2-(3-pyridylimino)-5-(2-pyridylmethylene)thiazolidin-4-one (2Z,5Z)-3-methyl-2-(3-pyridylimi…
| 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) | 2.47 | 6.88 | -11.02 | 0 | 5 | 0 | 60 | 296.355 | 2 | ↓ |
Popular Name: (2Z,5Z)-3-ethyl-2-(3-pyridylimino)-5-(2-pyridylmethylene)thiazolidin-4-one (2Z,5Z)-3-ethyl-2-(3-pyridylimin…
| 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) | 2.84 | 7.82 | -10.9 | 0 | 5 | 0 | 60 | 310.382 | 3 | ↓ |
Popular Name: (2Z,5Z)-2-[(3-chloro-4-pyridyl)imino]-3-methyl-5-(2-pyridylmethylene)thiazolidin-4-one (2Z,5Z)-2-[(3-chloro-4-pyridyl)i…
| 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) | 3.07 | 7.56 | -9.98 | 0 | 5 | 0 | 60 | 330.8 | 2 | ↓ |
