In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 27 | No |
Popular Name: (2Z,5Z)-3-butyl-2-butylimino-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]thiazolidin-4-one (2Z,5Z)-3-butyl-2-butylimino-5-[…
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) | 6.38 | 12.22 | -14 | 0 | 6 | 0 | 80 | 387.505 | 9 | ↓ |
Popular Name: 3-butyl-2-butylimino-5-[(4-nitrophenyl)methylene]thiazolidin-4-one 3-butyl-2-butylimino-5-[(4-nitro…
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) | 5.85 | 0.42 | -9.16 | 0 | 6 | 0 | 80 | 361.467 | 8 | ↓ |
Popular Name: 3-butyl-2-butylimino-5-(2-methyl-3-phenyl-prop-2-enylidene)-thiazolidin-4-one 3-butyl-2-butylimino-5-(2-methyl…
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) | 7.19 | 0.37 | -6.36 | 0 | 3 | 0 | 34 | 356.535 | 8 | ↓ |
Popular Name: 3-butyl-2-butylimino-5-[(3-nitrophenyl)methylene]thiazolidin-4-one 3-butyl-2-butylimino-5-[(3-nitro…
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) | 5.82 | 0.4 | -8.74 | 0 | 6 | 0 | 80 | 361.467 | 8 | ↓ |
Popular Name: 3-ethyl-2-ethylimino-5-[(2-nitrophenyl)methylene]thiazolidin-4-one 3-ethyl-2-ethylimino-5-[(2-nitro…
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) | 3.67 | -0.03 | -11.49 | 0 | 6 | 0 | 80 | 305.359 | 4 | ↓ |
Popular Name: (2E,5E)-3-ethyl-2-ethylimino-5-[(2-nitrophenyl)methylene]thiazolidin-4-one (2E,5E)-3-ethyl-2-ethylimino-5-[…
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) | 3.68 | 7.7 | -8.64 | 0 | 6 | 0 | 80 | 305.359 | 4 | ↓ |