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

Analogs

38005690
38005690
38005691
38005691
43462250
43462250
43462252
43462252

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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) 0.66 5.1 -39.63 2 4 1 47 217.296 4
Hi High (pH 8-9.5) 0.66 3.76 -8.29 1 4 0 43 216.288 4

Analogs

38005690
38005690
38005691
38005691
43462250
43462250
43462252
43462252

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) 0.66 5.09 -39.88 2 4 1 47 217.296 4
Hi High (pH 8-9.5) 0.66 3.78 -8.25 1 4 0 43 216.288 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) 1.10 6.1 -39.89 2 4 1 47 245.35 4
Hi High (pH 8-9.5) 1.10 4.79 -8.76 1 4 0 43 244.342 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) 1.10 6.1 -39.7 2 4 1 47 245.35 4
Hi High (pH 8-9.5) 1.10 4.76 -8.81 1 4 0 43 244.342 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) 0.48 3.94 -43.21 3 4 1 58 217.296 4
Hi High (pH 8-9.5) 0.48 2.56 -7.68 2 4 0 54 216.288 4

Analogs

38005690
38005690
38005691
38005691

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) 1.04 4.72 -39.22 3 4 1 58 231.323 4
Hi High (pH 8-9.5) 1.04 3.52 -8.43 2 4 0 54 230.315 4

Analogs

38005690
38005690
38005691
38005691

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) 1.04 4.72 -39.53 3 4 1 58 231.323 4
Hi High (pH 8-9.5) 1.04 3.52 -8.12 2 4 0 54 230.315 4

Analogs

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) 1.70 4.05 -41.76 2 6 1 66 305.402 6
Mid Mid (pH 6-8) 1.70 3.22 -34.7 2 6 1 62 305.402 6
Mid Mid (pH 6-8) 1.70 2.71 -8.35 1 6 0 61 304.394 6

Analogs

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) 1.32 4.68 -22.78 1 6 0 67 332.448 8
Hi High (pH 8-9.5) 1.32 4.05 -46.63 0 6 -1 66 331.44 8
Mid Mid (pH 6-8) 1.32 7.03 -40.36 2 6 1 69 333.456 8

Analogs

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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) 0.50 2.9 -22.82 1 6 0 67 290.367 7
Hi High (pH 8-9.5) 0.50 3.71 -43.55 0 6 -1 66 289.359 7
Mid Mid (pH 6-8) 0.50 2.91 -8.43 1 6 0 63 290.367 7

Analogs

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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) 1.86 6.64 -8.46 0 4 0 34 282.391 8
Mid Mid (pH 6-8) 1.86 8.75 -36.61 1 4 1 35 283.399 8

Analogs

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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) 1.54 4.55 -8.77 0 5 0 43 308.813 6
Mid Mid (pH 6-8) 1.54 6.85 -35.4 1 5 1 44 309.821 6
Mid Mid (pH 6-8) 1.54 4.94 -34.82 1 5 1 44 309.821 6

Analogs

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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) 1.54 4.59 -9.1 0 5 0 43 308.813 6
Mid Mid (pH 6-8) 1.54 6.86 -35.18 1 5 1 44 309.821 6
Mid Mid (pH 6-8) 1.54 4.92 -34.31 1 5 1 44 309.821 6

Analogs

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) 1.37 8.69 -39.99 1 6 0 75 316.405 6
Mid Mid (pH 6-8) 1.37 7 -51.33 0 6 -1 74 315.397 6

Analogs

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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) 1.01 3.52 -48.06 3 4 1 58 268.138 4
Mid Mid (pH 6-8) 1.01 2.15 -8.55 2 4 0 54 267.13 4

Analogs

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) 1.08 4.83 -47.16 2 4 1 47 282.165 4
Mid Mid (pH 6-8) 1.08 3.46 -7.49 1 4 0 43 281.157 4

Analogs

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) 0.50 2.72 -46.72 2 5 1 57 233.295 5
Mid Mid (pH 6-8) 0.50 1.35 -8.99 1 5 0 52 232.287 5

Analogs

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) 1.29 6.25 -42.02 2 4 1 47 245.35 5
Hi High (pH 8-9.5) 1.29 4.89 -7.47 1 4 0 43 244.342 5

Analogs

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) 1.38 6.08 -44.52 2 4 1 47 245.35 5
Hi High (pH 8-9.5) 1.38 4.7 -8.4 1 4 0 43 244.342 5

Analogs

43469495
43469495
43469496
43469496

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) 1.85 7.04 -38.14 2 4 1 47 259.377 5
Hi High (pH 8-9.5) 1.85 5.84 -7.65 1 4 0 43 258.369 5

Analogs

43469495
43469495
43469496
43469496

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) 1.85 7.04 -38.4 2 4 1 47 259.377 5
Hi High (pH 8-9.5) 1.85 5.83 -7.64 1 4 0 43 258.369 5

Analogs

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) 1.94 6.86 -40.16 2 4 1 47 259.377 5
Hi High (pH 8-9.5) 1.94 5.66 -8.43 1 4 0 43 258.369 5

Analogs

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) 1.94 6.86 -39.99 2 4 1 47 259.377 5
Hi High (pH 8-9.5) 1.94 5.65 -8.59 1 4 0 43 258.369 5

Parameters Provided:

ring.id = 24108
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 = 24108 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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