UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21886767
21886767
21886714
21886714

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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) 3.78 10.64 -15.13 1 5 0 58 352.482 5
Mid Mid (pH 6-8) 3.78 10.99 -39.05 2 5 1 59 353.49 5

Analogs

21886767
21886767
21886714
21886714
21886719
21886719
21153544
21153544
21153541
21153541

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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) 3.29 9.9 -15.66 1 6 0 67 382.508 8
Mid Mid (pH 6-8) 3.29 10.25 -39.42 2 6 1 69 383.516 8

Analogs

21886767
21886767
21886714
21886714
21886719
21886719

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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) 3.54 9.87 -15.36 1 5 0 58 338.455 5
Mid Mid (pH 6-8) 3.54 10.22 -39.07 2 5 1 59 339.463 5

Analogs

21886767
21886767
21886714
21886714
21886719
21886719

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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) 4.31 11.17 -15.23 1 5 0 58 366.509 6
Mid Mid (pH 6-8) 4.31 11.52 -39.04 2 5 1 59 367.517 6

Analogs

21886714
21886714
21886767
21886767

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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) 3.84 10.41 -14.49 1 5 0 58 352.482 4
Mid Mid (pH 6-8) 3.84 10.76 -37.79 2 5 1 59 353.49 4

Analogs

21886717
21886717

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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) 3.60 10.25 -13.9 1 5 0 58 356.445 5
Lo Low (pH 4.5-6) 3.60 10.62 -42.15 2 5 1 59 357.453 5

Analogs

21886717
21886717

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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) 3.60 10.25 -13.93 1 5 0 58 356.445 5
Lo Low (pH 4.5-6) 3.60 10.62 -42.13 2 5 1 59 357.453 5

Analogs

21886767
21886767
21886714
21886714
21886717
21886717

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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) 3.89 10.88 -15.16 1 5 0 58 352.482 5
Mid Mid (pH 6-8) 3.89 11.23 -38.7 2 5 1 59 353.49 5

Analogs

21886767
21886767
21886714
21886714
21886717
21886717

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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) 3.89 10.88 -15.13 1 5 0 58 352.482 5
Mid Mid (pH 6-8) 3.89 11.23 -38.7 2 5 1 59 353.49 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) 3.46 11.76 -49.22 2 6 1 63 396.559 8
Mid Mid (pH 6-8) 3.46 12.11 -83.02 3 6 2 64 397.567 8

Analogs

21886767
21886767
21886714
21886714
21886717
21886717
21886725
21886725
21886719
21886719

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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) 3.44 10.2 -15.22 1 5 0 58 338.455 5
Lo Low (pH 4.5-6) 3.44 10.56 -38.8 2 5 1 59 339.463 5

Analogs

21886767
21886767
21886714
21886714
21886717
21886717
21886725
21886725
21886719
21886719

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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) 3.44 10.2 -15.18 1 5 0 58 338.455 5
Lo Low (pH 4.5-6) 3.44 10.56 -38.77 2 5 1 59 339.463 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) 4.34 11.32 -8.14 1 5 0 58 366.509 5
Lo Low (pH 4.5-6) 4.34 11.66 -36.29 2 5 1 59 367.517 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) 4.34 11.27 -8.14 1 5 0 58 366.509 5
Lo Low (pH 4.5-6) 4.34 11.62 -36.34 2 5 1 59 367.517 5

Analogs

57825003
57825003
57825013
57825013

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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) 3.08 8.19 -7.78 1 7 0 95 328.372 4
Lo Low (pH 4.5-6) 3.08 8.45 -35.85 2 7 1 96 329.38 4

Analogs

25493112
25493112

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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) 3.98 10.61 -6.97 0 3 0 29 267.376 2
Lo Low (pH 4.5-6) 3.98 10.96 -29.16 1 3 1 30 268.384 2

Analogs

25493112
25493112

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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) 3.98 10.79 -6.65 0 3 0 29 267.376 2
Lo Low (pH 4.5-6) 3.98 11.15 -28.92 1 3 1 30 268.384 2

Analogs

25493112
25493112

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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) 3.98 10.79 -7.04 0 3 0 29 267.376 2
Lo Low (pH 4.5-6) 3.98 11.15 -29.25 1 3 1 30 268.384 2

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) 2.83 8.37 -10.17 1 4 0 49 317.82 2
Mid Mid (pH 6-8) 2.83 8.69 -32.11 2 4 1 50 318.828 2

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) 2.98 7.66 -11.25 1 5 0 58 331.391 4
Lo Low (pH 4.5-6) 2.98 7.88 -24.75 2 5 1 60 332.399 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) 2.98 7.67 -11.12 1 5 0 58 331.391 4
Lo Low (pH 4.5-6) 2.98 7.85 -24.78 2 5 1 60 332.399 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) 3.31 8.37 -15.57 2 5 0 72 344.846 3
Mid Mid (pH 6-8) 3.31 8.69 -38.05 3 5 1 73 345.854 3

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) 2.25 6.31 -13.14 2 6 0 75 343.406 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) 2.29 6.21 -15.63 1 6 0 75 346.456 5
Lo Low (pH 4.5-6) 2.29 6.57 -40.57 2 6 1 76 347.464 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) 2.29 6.2 -17.84 1 6 0 75 346.456 5
Lo Low (pH 4.5-6) 2.29 6.56 -40.52 2 6 1 76 347.464 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) 2.54 6.12 -8.15 1 5 0 58 299.374 3
Mid Mid (pH 6-8) 2.54 6.5 -32.28 2 5 1 60 300.382 3

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) 2.54 6.13 -8.21 1 5 0 58 299.374 3
Mid Mid (pH 6-8) 2.54 6.5 -32.29 2 5 1 60 300.382 3

Parameters Provided:

ring.id = 18355
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 = 18355 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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