UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[(2S)-tetrahydrofuran-2-yl]-1H-benzimidazol-5-yl]hexanamide N-[2-[(2S)-tetrahydrofuran-2-yl]…

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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) 3.48 6.24 -10.48 2 5 0 67 301.39 6 ↓
Lo Low (pH 4.5-6) 3.48 6.61 -30.92 3 5 1 68 302.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-tetrahydrofuran-2-yl]-1H-benzimidazol-5-yl]hexanamide N-[2-[(2R)-tetrahydrofuran-2-yl]…

Find On: PubMed — Wikipedia — Google

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) 3.48 6.18 -12.93 2 5 0 67 301.39 6 ↓
Lo Low (pH 4.5-6) 3.48 6.62 -31.82 3 5 1 68 302.398 6 ↓

Analogs

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Popular Name: N-[2-[(2S)-tetrahydrofuran-2-yl]-1H-benzimidazol-5-yl]butanamide N-[2-[(2S)-tetrahydrofuran-2-yl]…

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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) 2.47 4.68 -10.51 2 5 0 67 273.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-tetrahydrofuran-2-yl]-1H-benzimidazol-5-yl]butanamide N-[2-[(2R)-tetrahydrofuran-2-yl]…

Find On: PubMed — Wikipedia — Google

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 4.61 -12.95 2 5 0 67 273.336 4 ↓

Analogs

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Popular Name: N-[2-[(2S)-tetrahydrofuran-2-yl]-1H-benzimidazol-5-yl]acetamide N-[2-[(2S)-tetrahydrofuran-2-yl]…

Find On: PubMed — Wikipedia — Google

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) 1.07 3.09 -11.14 2 5 0 67 245.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-tetrahydrofuran-2-yl]-1H-benzimidazol-5-yl]acetamide N-[2-[(2R)-tetrahydrofuran-2-yl]…

Find On: PubMed — Wikipedia — Google

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) 1.07 3.03 -13.55 2 5 0 67 245.282 2 ↓

Parameters Provided:

ring.id = 296519
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 = 296519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=296519&filter.purchasability=annotated

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