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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41512786
41512786
41512866
41512866
6759311
6759311

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) 3.69 9.67 -40.18 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.69 10.43 -29.16 1 5 0 71 353.418 3

Analogs

41511331
41511331
41511488
41511488
41511492
41511492

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) 3.80 9.33 -37.71 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.80 10.09 -28.34 1 5 0 71 353.418 3

Analogs

41511488
41511488
41511492
41511492
41511327
41511327

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) 3.80 9.66 -37.73 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.80 10.23 -27.19 1 5 0 71 353.418 3

Analogs

41511492
41511492
41511327
41511327
41511331
41511331

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) 4.02 10.15 -37.58 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 4.02 10.91 -28.12 1 5 0 71 367.445 3

Analogs

41511327
41511327
41511488
41511488
41511331
41511331

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) 4.02 10.46 -37.7 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 4.02 11.03 -27.1 1 5 0 71 367.445 3

Analogs

41512111
41512111
41512279
41512279
41512282
41512282
41515263
41515263
41515266
41515266

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) 3.71 10.22 -41.69 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.71 10.79 -29.76 1 5 0 71 353.418 3

Analogs

41512279
41512279
41512282
41512282
41515263
41515263
41515266
41515266
41515269
41515269

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) 3.71 9.91 -42.37 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.71 10.68 -30.7 1 5 0 71 353.418 3

Analogs

41512282
41512282
41515263
41515263
41515266
41515266
41515269
41515269
41583675
41583675

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) 3.94 11.04 -41.67 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 3.94 11.61 -29.92 1 5 0 71 367.445 3

Analogs

41515263
41515263
41515266
41515266
41515269
41515269
41583675
41583675
41583676
41583676

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) 3.94 10.73 -42.41 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 3.94 11.5 -30.85 1 5 0 71 367.445 3

Analogs

41512866
41512866
41510967
41510967
6759311
6759311

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) 3.71 9.79 -40.48 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.71 10.36 -28.7 1 5 0 71 353.418 3

Analogs

41510967
41510967
41512786
41512786
6759311
6759311

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) 3.94 10.62 -40.42 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 3.94 11.19 -28.61 1 5 0 71 367.445 3

Analogs

41515266
41515266
41515269
41515269
41583675
41583675
41583676
41583676
41583677
41583677

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) 4.19 10.81 -41.66 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 4.19 11.37 -29.98 1 5 0 71 367.445 3

Analogs

41515269
41515269
41583675
41583675
41583676
41583676
41583677
41583677
41512107
41512107

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) 4.19 10.81 -41.39 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 4.19 11.38 -29.29 1 5 0 71 367.445 3

Analogs

41583676
41583676
41583677
41583677
41512107
41512107
41512111
41512111
41515263
41515263

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) 4.19 10.81 -41.24 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 4.19 11.37 -29.88 1 5 0 71 367.445 3

Analogs

41583676
41583676
41583677
41583677
41512282
41512282
41512279
41512279
41512107
41512107

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) 4.41 11.63 -41.72 2 5 1 68 382.48 3
Mid Mid (pH 6-8) 4.41 12.19 -30.16 1 5 0 71 381.472 3

Analogs

41583677
41583677
41583675
41583675
41512282
41512282
41512279
41512279
41512107
41512107

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) 4.41 11.64 -41.43 2 5 1 68 382.48 3
Mid Mid (pH 6-8) 4.41 12.21 -29.5 1 5 0 71 381.472 3

Analogs

41583675
41583675
41583676
41583676
41512282
41512282
41512279
41512279
41512107
41512107

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) 4.41 11.64 -41.33 2 5 1 68 382.48 3
Mid Mid (pH 6-8) 4.41 12.2 -30.11 1 5 0 71 381.472 3

Analogs

41586198
41586198

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) 3.58 10.88 -51.99 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.58 8.61 -13.47 1 7 0 93 411.454 6
Mid Mid (pH 6-8) 3.58 11.64 -38.65 1 7 0 97 411.454 6

Analogs

41586178
41586178

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) 3.80 11.7 -52.24 2 7 1 94 426.489 6
Hi High (pH 8-9.5) 3.80 9.44 -14 1 7 0 93 425.481 6
Mid Mid (pH 6-8) 3.80 12.46 -39.15 1 7 0 97 425.481 6

Analogs

41586252
41586252

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) 3.20 10.28 -52.46 2 7 1 94 398.435 6
Hi High (pH 8-9.5) 3.20 8.78 -48.79 0 7 -1 96 396.419 6
Mid Mid (pH 6-8) 3.20 8.02 -13.7 1 7 0 93 397.427 6

Analogs

41586231
41586231

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) 3.42 11.1 -52.83 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.42 9.61 -49.6 0 7 -1 96 410.446 6
Mid Mid (pH 6-8) 3.42 8.84 -14.21 1 7 0 93 411.454 6

Analogs

41586370
41586370
41586409
41586409
41586410
41586410

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) 3.58 10.69 -44.13 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.58 9.01 -46.63 0 7 -1 96 410.446 6
Mid Mid (pH 6-8) 3.58 8.43 -12.94 1 7 0 93 411.454 6

Analogs

41586409
41586409
41586410
41586410
41586369
41586369

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) 3.58 10.35 -44.6 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.58 8.9 -48.27 0 7 -1 96 410.446 6
Mid Mid (pH 6-8) 3.58 11.12 -30.73 1 7 0 97 411.454 6

Analogs

41586410
41586410
41586369
41586369
41586370
41586370

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) 3.80 11.51 -43.73 2 7 1 94 426.489 6
Hi High (pH 8-9.5) 3.80 9.85 -47.14 0 7 -1 96 424.473 6
Mid Mid (pH 6-8) 3.80 12.09 -29.28 1 7 0 97 425.481 6

Analogs

41586369
41586369
41586370
41586370
41586409
41586409

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) 3.80 11.17 -44.26 2 7 1 94 426.489 6
Hi High (pH 8-9.5) 3.80 9.72 -48.91 0 7 -1 96 424.473 6
Mid Mid (pH 6-8) 3.80 8.95 -12.35 1 7 0 93 425.481 6

Analogs

41586476
41586476
41586517
41586517
41586518
41586518

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) 3.20 10.05 -44.48 2 7 1 94 398.435 6
Hi High (pH 8-9.5) 3.20 8.37 -45.68 0 7 -1 96 396.419 6
Mid Mid (pH 6-8) 3.20 10.61 -29.93 1 7 0 97 397.427 6

Analogs

41586517
41586517
41586518
41586518
41586475
41586475

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) 3.20 9.71 -45.05 2 7 1 94 398.435 6
Hi High (pH 8-9.5) 3.20 8.25 -47.35 0 7 -1 96 396.419 6
Mid Mid (pH 6-8) 3.20 10.47 -30.98 1 7 0 97 397.427 6

Analogs

41586518
41586518
41586475
41586475
41586476
41586476

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) 3.42 10.87 -44 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.42 9.2 -46.18 0 7 -1 96 410.446 6
Mid Mid (pH 6-8) 3.42 11.45 -29.57 1 7 0 97 411.454 6

Analogs

41586475
41586475
41586476
41586476
41586517
41586517

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) 3.42 10.53 -44.63 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.42 9.07 -47.85 0 7 -1 96 410.446 6
Mid Mid (pH 6-8) 3.42 8.31 -12.38 1 7 0 93 411.454 6

Parameters Provided:

ring.id = 537549
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 = 537549 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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