UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13591170
13591170
13591172
13591172
9128896
9128896

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Popular Name: 5-[[(3aS,6aS)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yliden 5-[[(3aS,6aS)-3-[(4-chlorophenyl…

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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) 1.57 -6.29 -68.56 0 7 -1 107 429.927 6 ↓

Analogs

5307324
5307324
5307329
5307329

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Popular Name: (NE)-N-[(3aS,6aS)-3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-y (NE)-N-[(3aS,6aS)-3-[(3-methoxyp…

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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) 2.28 5.18 -17.83 0 6 0 76 396.534 5 ↓
Lo Low (pH 4.5-6) 2.28 6.18 -47.89 1 6 1 78 397.542 5 ↓

Analogs

17027628
17027628
17027630
17027630
17027632
17027632
9488520
9488520
9488522
9488522

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Popular Name: (NE)-N-[(3aS,6aS)-3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-y (NE)-N-[(3aS,6aS)-3-[(3-methoxyp…

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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) 1.51 3.82 -18.6 0 6 0 76 368.48 4 ↓
Lo Low (pH 4.5-6) 1.51 4.83 -47.85 1 6 1 78 369.488 4 ↓

Analogs

17029061
17029061
17029063
17029063
17029064
17029064
5322294
5322294
5322296
5322296

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Popular Name: (NE)-N-[(3aS,6aS)-3-[(4-fluorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl (NE)-N-[(3aS,6aS)-3-[(4-fluoroph…

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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) 1.88 5.27 -20.28 0 5 0 67 370.471 3 ↓
Lo Low (pH 4.5-6) 1.88 6.66 -51.88 1 5 1 68 371.479 3 ↓

Analogs

32504016
32504016
32504018
32504018
32504020
32504020

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-[(3aS,6aS)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl (NZ)-N-[(3aS,6aS)-3-[(4-chloroph…

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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) 2.93 6.4 -18.79 0 5 0 67 400.953 4 ↓
Lo Low (pH 4.5-6) 2.93 7.33 -48.89 1 5 1 68 401.961 4 ↓

Analogs

16741114
16741114
16741115
16741115
16741116
16741116

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-[(3aS,6aS)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl (NZ)-N-[(3aS,6aS)-3-[(4-chloroph…

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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) 2.71 5.81 -19.33 0 5 0 67 386.926 4 ↓
Lo Low (pH 4.5-6) 2.71 6.75 -48.6 1 5 1 68 387.934 4 ↓

Analogs

13135610
13135610
18045152
18045152
20445104
20445104
20445109
20445109
20445113
20445113

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-[(3aS,6aS)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl (NZ)-N-[(3aS,6aS)-3-[(4-chloroph…

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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) 2.98 6.23 -19.47 0 5 0 67 400.953 3 ↓
Lo Low (pH 4.5-6) 2.98 6.08 -47.96 1 5 1 68 401.961 3 ↓

Analogs

15894431
15894431
17887457
17887457
20445058
20445058
20445063
20445063
20445067
20445067

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Popular Name: (NZ)-N-[(3aS,6aS)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl (NZ)-N-[(3aS,6aS)-3-[(4-chloroph…

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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) 3.40 7.1 -18.66 0 5 0 67 414.98 5 ↓
Lo Low (pH 4.5-6) 3.40 8.55 -47.19 1 5 1 68 415.988 5 ↓

Analogs

11999721
11999721
20445026
20445026
20445030
20445030
20445035
20445035

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Popular Name: (NZ)-N-[(3aS,6aS)-5,5-dioxo-3-[(1S)-1-phenylethyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yliden (NZ)-N-[(3aS,6aS)-5,5-dioxo-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) 2.03 -4.43 -18.07 0 5 0 67 352.481 3 ↓

Analogs

20445026
20445026
20445030
20445030
20445035
20445035
11999720
11999720

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-[(3aS,6aS)-5,5-dioxo-3-[(1R)-1-phenylethyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yliden (NZ)-N-[(3aS,6aS)-5,5-dioxo-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) 2.03 -4.44 -18.07 0 5 0 67 352.481 3 ↓

Analogs

5265597
5265597
5265603
5265603

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Popular Name: (NE,2R)-N-[(3aR,6aR)-5,5-dioxo-3-(p-tolylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene] (NE,2R)-N-[(3aR,6aR)-5,5-dioxo-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) 2.67 5.56 -20.72 0 5 0 67 380.535 4 ↓
Lo Low (pH 4.5-6) 2.67 7.32 -42.7 1 5 1 68 381.543 4 ↓

Analogs

5265597
5265597
5265603
5265603

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S)-N-[(3aR,6aR)-5,5-dioxo-3-(p-tolylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene] (NE,2S)-N-[(3aR,6aR)-5,5-dioxo-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) 2.67 5.34 -19.99 0 5 0 67 380.535 4 ↓
Lo Low (pH 4.5-6) 2.67 7.3 -42.78 1 5 1 68 381.543 4 ↓

Analogs

36638564
36638564
5325251
5325251
5325254
5325254

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Popular Name: (NE,2R)-N-[(3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NE,2R)-N-[(3aR,6aR)-3-[(2-chlor…

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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) 2.85 5.15 -20.16 0 5 0 67 400.953 4 ↓
Lo Low (pH 4.5-6) 2.85 5.9 -38.86 1 5 1 68 401.961 4 ↓

Analogs

36638562
36638562
5325251
5325251

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S)-N-[(3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NE,2S)-N-[(3aR,6aR)-3-[(2-chlor…

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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) 2.85 5.14 -17.77 0 5 0 67 400.953 4 ↓
Lo Low (pH 4.5-6) 2.85 5.88 -38.97 1 5 1 68 401.961 4 ↓

Analogs

36638576
36638576
5307789
5307789
5307792
5307792

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Popular Name: (NE,2R)-N-[(3aR,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NE,2R)-N-[(3aR,6aR)-3-[(4-chlor…

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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) 2.90 5.4 -21.38 0 5 0 67 400.953 4 ↓
Lo Low (pH 4.5-6) 2.90 7.15 -45.73 1 5 1 68 401.961 4 ↓

Analogs

36638574
36638574
5307789
5307789
5307792
5307792

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Popular Name: (NE,2S)-N-[(3aR,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NE,2S)-N-[(3aR,6aR)-3-[(4-chlor…

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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) 2.90 5.18 -19.91 0 5 0 67 400.953 4 ↓
Lo Low (pH 4.5-6) 2.90 7.14 -45.81 1 5 1 68 401.961 4 ↓

Analogs

5265597
5265597
5265603
5265603

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Popular Name: (NE,2R)-N-[(3aR,6aR)-3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]-2-methyl (NE,2R)-N-[(3aR,6aR)-3-benzyl-5,…

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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) 2.22 4.88 -20.6 0 5 0 67 366.508 4 ↓
Lo Low (pH 4.5-6) 2.22 6.64 -42.79 1 5 1 68 367.516 4 ↓

Analogs

5265597
5265597
5265603
5265603

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Popular Name: (NE,2S)-N-[(3aR,6aR)-3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]-2-methyl (NE,2S)-N-[(3aR,6aR)-3-benzyl-5,…

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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) 2.22 4.66 -19.99 0 5 0 67 366.508 4 ↓
Lo Low (pH 4.5-6) 2.22 6.63 -42.8 1 5 1 68 367.516 4 ↓

Analogs

36638733
36638733
32507327
32507327
32507328
32507328
5305226
5305226

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Popular Name: (NE,2R)-N-[(3aR,6aR)-3-[(4-fluorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NE,2R)-N-[(3aR,6aR)-3-[(4-fluor…

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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) 2.38 4.94 -22.42 0 5 0 67 384.498 4 ↓
Lo Low (pH 4.5-6) 2.38 6.7 -46.65 1 5 1 68 385.506 4 ↓

Analogs

36638732
36638732
32507327
32507327
32507328
32507328

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Popular Name: (NE,2S)-N-[(3aR,6aR)-3-[(4-fluorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NE,2S)-N-[(3aR,6aR)-3-[(4-fluor…

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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) 2.38 4.73 -20.45 0 5 0 67 384.498 4 ↓
Lo Low (pH 4.5-6) 2.38 6.68 -46.73 1 5 1 68 385.506 4 ↓

Analogs

36638769
36638769
5266580
5266580
5266591
5266591

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2R)-N-[(3aR,6aR)-3-[(4-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol- (NE,2R)-N-[(3aR,6aR)-3-[(4-metho…

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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) 2.28 4.18 -22.07 0 6 0 76 396.534 5 ↓
Lo Low (pH 4.5-6) 2.28 5.94 -45.15 1 6 1 78 397.542 5 ↓

Analogs

5266580
5266580
5266591
5266591

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S)-N-[(3aR,6aR)-3-[(4-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol- (NE,2S)-N-[(3aR,6aR)-3-[(4-metho…

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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) 2.28 3.96 -21.51 0 6 0 76 396.534 5 ↓
Lo Low (pH 4.5-6) 2.28 5.91 -45.19 1 6 1 78 397.542 5 ↓

Parameters Provided:

ring.id = 69623
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 = 69623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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