UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39174831
39174831
39174832
39174832
19861967
19861967
19861968
19861968

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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) 1.36 4.59 -128.62 4 4 2 51 250.342 5
Mid Mid (pH 6-8) 1.36 4.17 -33.5 3 4 1 49 249.334 5
Mid Mid (pH 6-8) 1.36 2.55 -50.12 3 4 1 49 249.334 5

Analogs

39174831
39174831
39174832
39174832
19861967
19861967
19861968
19861968

Draw Identity 99% 90% 80% 70%

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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) 1.36 4.75 -131.11 4 4 2 51 250.342 5
Mid Mid (pH 6-8) 1.36 5.36 -33.55 3 4 1 49 249.334 5
Mid Mid (pH 6-8) 1.36 2.89 -49.4 3 4 1 49 249.334 5

Analogs

37870395
37870395
37870396
37870396
40735877
40735877
22772774
22772774

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Activity (Go SEA)

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) 2.10 5.64 -128.42 4 4 2 51 329.238 5
Mid Mid (pH 6-8) 2.10 3.33 -52.72 3 4 1 49 328.23 5
Mid Mid (pH 6-8) 2.10 5.74 -34.27 3 4 1 49 328.23 5

Analogs

37870395
37870395
37870396
37870396
40735877
40735877
22772774
22772774

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 2.10 5.13 -129.09 4 4 2 51 329.238 5
Mid Mid (pH 6-8) 2.10 3.17 -48.71 3 4 1 49 328.23 5
Mid Mid (pH 6-8) 2.10 5.25 -35.65 3 4 1 49 328.23 5

Analogs

37870385
37870385
37870386
37870386
32050762
32050762
32070449
32070449
32049125
32049125

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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) 1.97 5.54 -128.72 4 4 2 51 284.787 5
Mid Mid (pH 6-8) 1.97 3.23 -52.95 3 4 1 49 283.779 5
Mid Mid (pH 6-8) 1.97 5.64 -34.53 3 4 1 49 283.779 5

Analogs

37870385
37870385
37870386
37870386
32050762
32050762
32070449
32070449
32049125
32049125

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 1.97 5.02 -129.37 4 4 2 51 284.787 5
Mid Mid (pH 6-8) 1.97 3.08 -48.93 3 4 1 49 283.779 5
Mid Mid (pH 6-8) 1.97 5.14 -35.95 3 4 1 49 283.779 5

Analogs

39174831
39174831
39174832
39174832
19861967
19861967
19861968
19861968

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 0.99 3.75 -132.86 4 4 2 51 236.315 4
Mid Mid (pH 6-8) 0.99 2.34 -48.31 3 4 1 49 235.307 4
Mid Mid (pH 6-8) 0.99 4.84 -34.53 3 4 1 49 235.307 4

Analogs

39174831
39174831
39174832
39174832
19861967
19861967
19861968
19861968

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 0.99 4.37 -119.3 4 4 2 51 236.315 4
Mid Mid (pH 6-8) 0.99 2.49 -45.54 3 4 1 49 235.307 4
Mid Mid (pH 6-8) 0.99 4.03 -37.76 3 4 1 49 235.307 4

Analogs

37870395
37870395
37870396
37870396
40735877
40735877
22772774
22772774

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 1.72 4.99 -123.47 4 4 2 51 315.211 4
Mid Mid (pH 6-8) 1.72 3.09 -48.57 3 4 1 49 314.203 4
Mid Mid (pH 6-8) 1.72 5.47 -35.7 3 4 1 49 314.203 4

Analogs

37870395
37870395
37870396
37870396
40735877
40735877
22772774
22772774

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 1.72 4.99 -123.67 4 4 2 51 315.211 4
Mid Mid (pH 6-8) 1.72 3.11 -49.3 3 4 1 49 314.203 4
Mid Mid (pH 6-8) 1.72 4.64 -37.88 3 4 1 49 314.203 4

Analogs

37870385
37870385
37870386
37870386
32050762
32050762
32070449
32070449
32049125
32049125

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 1.59 4.88 -123.61 4 4 2 51 270.76 4
Mid Mid (pH 6-8) 1.59 2.99 -48.71 3 4 1 49 269.752 4
Mid Mid (pH 6-8) 1.59 5.36 -35.98 3 4 1 49 269.752 4

Analogs

37870385
37870385
37870386
37870386
32050762
32050762
32070449
32070449
32049125
32049125

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 1.59 4.89 -123.82 4 4 2 51 270.76 4
Mid Mid (pH 6-8) 1.59 3.01 -49.41 3 4 1 49 269.752 4
Mid Mid (pH 6-8) 1.59 4.54 -38.17 3 4 1 49 269.752 4

Analogs

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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) 1.86 5.33 -130.56 4 4 2 51 264.369 6
Hi High (pH 8-9.5) 1.86 3.32 -50.82 3 4 1 49 263.361 6
Mid Mid (pH 6-8) 1.86 5.75 -33.45 3 4 1 49 263.361 6

Analogs

39174831
39174831
39174832
39174832

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 1.86 5.51 -132.82 4 4 2 51 264.369 6
Hi High (pH 8-9.5) 1.86 3.64 -49.78 3 4 1 49 263.361 6
Mid Mid (pH 6-8) 1.86 5.12 -34.13 3 4 1 49 263.361 6

Analogs

37870395
37870395
37870396
37870396
22772774
22772774

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 2.60 6.57 -123.66 4 4 2 51 343.265 6
Mid Mid (pH 6-8) 2.60 4.09 -53.21 3 4 1 49 342.257 6
Mid Mid (pH 6-8) 2.60 6.48 -34.68 3 4 1 49 342.257 6

Analogs

37870395
37870395
37870396
37870396
22772774
22772774

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 2.60 6.56 -123.69 4 4 2 51 343.265 6
Mid Mid (pH 6-8) 2.60 4.11 -53.66 3 4 1 49 342.257 6
Mid Mid (pH 6-8) 2.60 6.21 -33.1 3 4 1 49 342.257 6

Analogs

37870385
37870385
37870386
37870386
32050762
32050762
32070449
32070449
32049125
32049125

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 2.47 6.47 -124.12 4 4 2 51 298.814 6
Mid Mid (pH 6-8) 2.47 3.99 -53.45 3 4 1 49 297.806 6
Mid Mid (pH 6-8) 2.47 6.38 -35 3 4 1 49 297.806 6

Analogs

37870385
37870385
37870386
37870386

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 2.47 6.46 -124.17 4 4 2 51 298.814 6
Mid Mid (pH 6-8) 2.47 4 -53.96 3 4 1 49 297.806 6
Mid Mid (pH 6-8) 2.47 6.11 -33.38 3 4 1 49 297.806 6

Analogs

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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) 1.08 2.02 -39.5 3 6 1 74 296.343 8

Analogs

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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) 1.08 2.02 -39.06 3 6 1 74 296.343 8

Analogs

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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) 1.63 5.5 -37.11 2 5 0 75 249.266 4

Analogs

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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) 1.63 5.55 -38.96 2 5 0 75 249.266 4

Analogs

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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) 1.18 5.32 -35.28 2 5 0 75 235.239 4

Analogs

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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) 1.18 5.21 -33.41 2 5 0 75 235.239 4

Analogs

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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) 1.79 5.76 -33.89 2 5 0 75 269.684 4

Analogs

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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) 1.79 5.83 -33.09 2 5 0 75 269.684 4

Analogs

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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) 1.92 5.87 -33.75 2 5 0 75 314.135 4

Analogs

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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) 1.92 5.93 -32.8 2 5 0 75 314.135 4

Analogs

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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) 0.94 7.56 -38.82 1 5 0 63 283.711 5

Analogs

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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) 1.75 2.46 -38.09 3 4 1 55 236.291 4

Analogs

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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) 1.75 2.43 -38.3 3 4 1 55 236.291 4

Analogs

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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) 1.30 2.14 -39.94 3 4 1 55 222.264 4

Analogs

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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) 1.30 2.12 -40.06 3 4 1 55 222.264 4

Analogs

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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) 1.91 2.65 -41.92 3 4 1 55 256.709 4

Analogs

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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) 1.91 2.65 -41.67 3 4 1 55 256.709 4

Analogs

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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) 2.04 2.75 -41.71 3 4 1 55 301.16 4

Analogs

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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) 2.04 2.75 -41.44 3 4 1 55 301.16 4

Parameters Provided:

ring.id = 137869
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 = 137869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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