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

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) 0.91 5.06 -52.93 3 4 1 57 221.328 5
Mid Mid (pH 6-8) 0.91 5.06 -93.58 4 4 2 58 222.336 5
Mid Mid (pH 6-8) 0.91 5.23 -93.56 4 4 2 58 222.336 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) 1.59 4.24 -7.13 1 3 0 38 163.224 2
Mid Mid (pH 6-8) 1.59 4.42 -27.92 2 3 1 39 164.232 2
Mid Mid (pH 6-8) 1.59 4.4 -31.17 2 3 1 39 164.232 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) 2.04 4.25 -7.13 1 3 0 38 177.251 2
Mid Mid (pH 6-8) 2.04 4.42 -30.51 2 3 1 39 178.259 2
Mid Mid (pH 6-8) 2.04 4.43 -26.88 2 3 1 39 178.259 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) 1.06 3.68 -8.78 1 4 0 47 193.25 3
Mid Mid (pH 6-8) 1.06 3.86 -27.57 2 4 1 48 194.258 3
Mid Mid (pH 6-8) 1.06 3.85 -31.98 2 4 1 48 194.258 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) 1.06 3.24 -7.71 1 4 0 47 193.25 3
Mid Mid (pH 6-8) 1.06 3.41 -31.58 2 4 1 48 194.258 3
Mid Mid (pH 6-8) 1.06 3.41 -28.31 2 4 1 48 194.258 3

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) 1.06 3.27 -7.32 1 4 0 47 193.25 3
Mid Mid (pH 6-8) 1.06 3.44 -31.71 2 4 1 48 194.258 3
Mid Mid (pH 6-8) 1.06 3.44 -28.61 2 4 1 48 194.258 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) 1.06 3.6 -8.87 1 4 0 47 193.25 3
Mid Mid (pH 6-8) 1.06 3.77 -31.69 2 4 1 48 194.258 3
Mid Mid (pH 6-8) 1.06 3.77 -27.45 2 4 1 48 194.258 3

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) 1.20 3.62 -8.62 1 4 0 49 207.277 4
Mid Mid (pH 6-8) 1.20 3.64 -26.75 2 4 1 50 208.285 4
Mid Mid (pH 6-8) 1.20 3.79 -33.13 2 4 1 50 208.285 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) 1.26 4.33 -13.19 2 6 0 96 273.34 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) 1.31 3.33 -18.39 4 6 0 98 307.423 5
Lo Low (pH 4.5-6) 1.31 3.49 -31.52 5 6 1 99 308.431 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) 0.41 3.81 -63.19 2 7 -1 112 263.277 5
Lo Low (pH 4.5-6) 0.41 3.64 -43.12 3 7 0 113 264.285 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) 1.78 3.69 -15.43 2 5 0 72 254.721 4

Parameters Provided:

ring.id = 23620
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 = 23620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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