UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33808938
33808938
33808940
33808940
6782661
6782661

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Popular Name: methyl methyl

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Physical Representations

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) 5.20 9.11 -14.57 1 6 0 81 406.463 4 ↓
Hi High (pH 8-9.5) 5.20 9.9 -41.48 0 6 -1 84 405.455 4 ↓

Analogs

33808938
33808938
33808940
33808940
6782661
6782661

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Popular Name: methyl methyl

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Physical Representations

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) 5.20 9.12 -14.49 1 6 0 81 406.463 4 ↓
Hi High (pH 8-9.5) 5.20 9.92 -41.29 0 6 -1 84 405.455 4 ↓

Analogs

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Popular Name: isopropyl isopropyl

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Physical Representations

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) 6.04 12.45 -12.99 0 7 0 79 478.57 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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Physical Representations

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) 6.04 12.6 -13.06 0 7 0 79 478.57 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.32 11.24 -15.39 1 7 0 90 478.57 7 ↓
Hi High (pH 8-9.5) 6.32 12.03 -43.41 0 7 -1 93 477.562 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.32 11.22 -15.78 1 7 0 90 478.57 7 ↓
Hi High (pH 8-9.5) 6.32 12.02 -43.53 0 7 -1 93 477.562 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 5.93 11.57 -15.45 1 7 0 90 478.57 7 ↓
Hi High (pH 8-9.5) 5.93 12.36 -49.44 0 7 -1 93 477.562 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 5.93 11.57 -15.39 1 7 0 90 478.57 7 ↓
Hi High (pH 8-9.5) 5.93 12.36 -49.08 0 7 -1 93 477.562 7 ↓

Analogs

33717848
33717848
33717850
33717850
33741132
33741132
33741134
33741134
16682348
16682348

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Popular Name: ethyl ethyl

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Physical Representations

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) 8.51 17.08 -10.04 0 5 0 61 488.653 7 ↓

Analogs

33717848
33717848
33717850
33717850
33741132
33741132
33741134
33741134
16682348
16682348

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Popular Name: ethyl ethyl

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Physical Representations

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) 8.51 17.03 -9.83 0 5 0 61 488.653 7 ↓

Analogs

39850443
39850443
39850444
39850444
39850449
39850449
39850450
39850450

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.37 13.34 -11.43 0 7 0 79 490.581 9 ↓

Analogs

39850441
39850441
39850442
39850442
39850443
39850443
39850444
39850444
39850449
39850449

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.37 13.35 -12.82 0 7 0 79 490.581 9 ↓

Analogs

16699949
16699949
16699951
16699951

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.39 13.34 -11.57 0 7 0 79 490.581 9 ↓

Analogs

16699949
16699949
16699951
16699951

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.39 13.32 -12.08 0 7 0 79 490.581 9 ↓

Analogs

8780954
8780954

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.41 12.47 -13.44 1 7 0 84 491.613 8 ↓

Analogs

8780954
8780954

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.41 12.59 -13.54 1 7 0 84 491.613 8 ↓

Analogs

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Popular Name: 2-[(Z)-[(5R)-5-(2-isopropoxyphenyl)-6-methoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-y 2-[(Z)-[(5R)-5-(2-isopropoxyphen…

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Physical Representations

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) 5.53 12.3 -54.74 0 8 -1 110 491.545 7 ↓

Analogs

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Popular Name: 2-[(Z)-[(5S)-5-(2-isopropoxyphenyl)-6-methoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-y 2-[(Z)-[(5S)-5-(2-isopropoxyphen…

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Physical Representations

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) 5.53 12.38 -55.2 0 8 -1 110 491.545 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 5.18 10.66 -15.81 1 8 0 99 494.569 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 5.18 10.66 -15.87 1 8 0 99 494.569 8 ↓

Analogs

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Popular Name: isopropyl isopropyl

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Physical Representations

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) 5.98 9.77 -15.3 1 8 0 99 494.569 7 ↓
Hi High (pH 8-9.5) 5.98 10.57 -44.22 0 8 -1 102 493.561 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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Physical Representations

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) 5.98 9.63 -15.5 1 8 0 99 494.569 7 ↓
Hi High (pH 8-9.5) 5.98 10.43 -44.67 0 8 -1 102 493.561 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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Physical Representations

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) 5.56 9.59 -18.12 1 8 0 99 494.569 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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Physical Representations

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) 5.56 9.72 -15.95 1 8 0 99 494.569 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.82 14.65 -9.51 0 5 0 61 497.414 5 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

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) 6.82 14.61 -9.67 0 5 0 61 497.414 5 ↓

Analogs

8397764
8397764
8397767
8397767
8765657
8765657
8856486
8856486
19912772
19912772

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Popular Name: (2Z,5S)-2-(4-isopropylbenzylidene)-3-keto-7-methyl-5-(3-nitrophenyl)-5H-thiazolo[3,2-a]pyrimidine-6- (2Z,5S)-2-(4-isopropylbenzyliden…

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Physical Representations

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) 7.08 3.47 -11.22 0 8 0 106 491.569 7 ↓

Analogs

8397764
8397764
8397767
8397767
8934357
8934357
19912772
19912772
19912774
19912774

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Popular Name: (2Z,5R)-2-(4-isopropylbenzylidene)-3-keto-7-methyl-5-(3-nitrophenyl)-5H-thiazolo[3,2-a]pyrimidine-6- (2Z,5R)-2-(4-isopropylbenzyliden…

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Physical Representations

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) 7.08 3.43 -11.09 0 8 0 106 491.569 7 ↓

Analogs

8983924
8983924
8983927
8983927

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Popular Name: (2Z,5S)-2-(2,4-dimethoxybenzylidene)-5-(3,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrim (2Z,5S)-2-(2,4-dimethoxybenzylid…

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Physical Representations

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 11.29 -13.97 0 9 0 98 536.606 10 ↓

Analogs

19878965
19878965
19878967
19878967

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Popular Name: (2Z,5R)-2-(2-chloro-6-fluoro-benzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-ca (2Z,5R)-2-(2-chloro-6-fluoro-ben…

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Physical Representations

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) 6.65 3.31 -10.42 0 5 0 60 468.937 6 ↓

Analogs

19878965
19878965
19878967
19878967

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Popular Name: (2Z,5S)-2-(2-chloro-6-fluoro-benzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-ca (2Z,5S)-2-(2-chloro-6-fluoro-ben…

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Physical Representations

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) 6.65 2.99 -10.1 0 5 0 60 468.937 6 ↓

Analogs

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Popular Name: ethyl 5-[4-(acetyloxy)phenyl]-2-(3-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate ethyl 5-[4-(acetyloxy)phenyl]-2-…

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Physical Representations

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) 5.84 3.53 -15.6 0 7 0 86 496.972 7 ↓

Analogs

8833791
8833791
8833792
8833792

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Popular Name: ethyl 5-[4-(acetyloxy)phenyl]-2-(3-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate ethyl 5-[4-(acetyloxy)phenyl]-2-…

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Physical Representations

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) 5.84 3.51 -14.2 0 7 0 86 496.972 7 ↓

Analogs

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Popular Name: (2Z,5S)-5-(2-chlorophenyl)-2-(3,4-dichlorobenzylidene)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine- (2Z,5S)-5-(2-chlorophenyl)-2-(3,…

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Physical Representations

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) 6.97 13.89 -14.99 0 6 0 70 537.852 7 ↓

Analogs

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Popular Name: (2Z,5R)-5-(2-chlorophenyl)-2-(3,4-dichlorobenzylidene)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine- (2Z,5R)-5-(2-chlorophenyl)-2-(3,…

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Physical Representations

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) 6.97 13.88 -14.25 0 6 0 70 537.852 7 ↓

Analogs

8915550
8915550

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Popular Name: (2Z,5R)-3-keto-7-methyl-2-(3-nitrobenzylidene)-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic-ac (2Z,5R)-3-keto-7-methyl-2-(3-nit…

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Physical Representations

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) 5.84 3.06 -13.94 0 8 0 106 461.499 7 ↓

Analogs

8915550
8915550

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Popular Name: (2Z,5S)-3-keto-7-methyl-2-(3-nitrobenzylidene)-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic-ac (2Z,5S)-3-keto-7-methyl-2-(3-nit…

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Physical Representations

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) 5.84 14.45 -17.76 0 8 0 106 461.499 7 ↓

Analogs

9007981
9007981
9007982
9007982
34931092
34931092
34931096
34931096

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Popular Name: (2Z,5R)-2-(4-allyloxybenzylidene)-5-(3,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidi (2Z,5R)-2-(4-allyloxybenzylidene…

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Physical Representations

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) 5.61 11.86 -14.07 0 8 0 88 506.58 9 ↓

Analogs

9007981
9007981
9007982
9007982
34931092
34931092
34931096
34931096

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Popular Name: (2Z,5S)-2-(4-allyloxybenzylidene)-5-(3,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidi (2Z,5S)-2-(4-allyloxybenzylidene…

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Physical Representations

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) 5.61 11.86 -14.28 0 8 0 88 506.58 9 ↓

Analogs

9030772
9030772
9030776
9030776
9030829
9030829
9030830
9030830
39850447
39850447

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Popular Name: (2Z,5S)-2-(3-acetoxybenzylidene)-3-keto-7-methyl-5-p-cumenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxyl (2Z,5S)-2-(3-acetoxybenzylidene)…

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Physical Representations

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) 6.68 4.47 -14.95 0 7 0 86 504.608 8 ↓

Analogs

9030772
9030772
9030776
9030776
9030829
9030829
9030830
9030830
39850447
39850447

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Popular Name: (2Z,5R)-2-(3-acetoxybenzylidene)-3-keto-7-methyl-5-p-cumenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxyl (2Z,5R)-2-(3-acetoxybenzylidene)…

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Physical Representations

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) 6.68 4.62 -13.88 0 7 0 86 504.608 8 ↓

Analogs

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Popular Name: (2Z,5S)-5-(2-chlorophenyl)-3-keto-7-methyl-2-veratrylidene-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic (2Z,5S)-5-(2-chlorophenyl)-3-ket…

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Physical Representations

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) 5.33 12.14 -17.83 0 8 0 88 529.014 9 ↓

Analogs

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Popular Name: (2Z,5R)-5-(2-chlorophenyl)-3-keto-7-methyl-2-veratrylidene-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic (2Z,5R)-5-(2-chlorophenyl)-3-ket…

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Physical Representations

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) 5.33 12.13 -17.04 0 8 0 88 529.014 9 ↓

Analogs

19912625
19912625
19912627
19912627

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Popular Name: (2Z,5R)-2-(2,4-dimethoxybenzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxy (2Z,5R)-2-(2,4-dimethoxybenzylid…

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Physical Representations

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) 5.95 2.83 -11.47 0 7 0 79 476.554 8 ↓

Analogs

19912625
19912625
19912627
19912627

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Popular Name: (2Z,5S)-2-(2,4-dimethoxybenzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxy (2Z,5S)-2-(2,4-dimethoxybenzylid…

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Physical Representations

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) 5.95 2.64 -11.4 0 7 0 79 476.554 8 ↓

Analogs

8915495
8915495
8915496
8915496

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Popular Name: (2Z,5R)-3-keto-7-methyl-2-p-anisylidene-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic-acid-ally (2Z,5R)-3-keto-7-methyl-2-p-anis…

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Physical Representations

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) 5.96 2.74 -11.62 0 6 0 69 446.528 7 ↓

Analogs

8915495
8915495
8915496
8915496

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Popular Name: (2Z,5S)-3-keto-7-methyl-2-p-anisylidene-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic-acid-ally (2Z,5S)-3-keto-7-methyl-2-p-anis…

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Physical Representations

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) 5.96 2.55 -11.3 0 6 0 69 446.528 7 ↓

Analogs

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Popular Name: (2Z,5S)-2-[4-(dimethylamino)benzylidene]-3-keto-7-methyl-5-(p-tolyl)-5H-thiazolo[3,2-a]pyrimidine-6- (2Z,5S)-2-[4-(dimethylamino)benz…

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Physical Representations

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) 6.55 2.74 -11.83 0 6 0 63 475.614 6 ↓

Analogs

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Popular Name: (2Z,5R)-2-[4-(dimethylamino)benzylidene]-3-keto-7-methyl-5-(p-tolyl)-5H-thiazolo[3,2-a]pyrimidine-6- (2Z,5R)-2-[4-(dimethylamino)benz…

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Physical Representations

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) 6.55 2.52 -11.33 0 6 0 63 475.614 6 ↓

Analogs

20609337
20609337
20609338
20609338

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Popular Name: ethyl 5-(4-fluorophenyl)-2-(4-isopropylbenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate ethyl 5-(4-fluorophenyl)-2-(4-is…

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Physical Representations

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) 7.31 3.6 -9.01 0 5 0 60 464.562 6 ↓

Parameters Provided:

ring.id = 95073
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 95073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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