UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: cyclopentyl-(2,4-dimethoxy-3-methyl-phenyl)BLAHone cyclopentyl-(2,4-dimethoxy-3-met…

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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) 3.92 0.81 -34.3 1 5 1 43 385.528 4 ↓

Analogs

12057640
12057640

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Popular Name: cyclopentyl-(4-fluoro-3-methoxy-phenyl)BLAHone cyclopentyl-(4-fluoro-3-methoxy-…

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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) 3.65 0.9 -40.58 1 4 1 34 359.465 3 ↓

Analogs

20406923
20406923
11933110
11933110

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Popular Name: cyclopentyl-(3,4-dimethoxyphenyl)BLAHone cyclopentyl-(3,4-dimethoxyphenyl…

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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) 3.15 0.49 -38.66 1 5 1 43 371.501 4 ↓

Analogs

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Popular Name: cyclopentyl-(3,5-dimethylphenyl)BLAHone cyclopentyl-(3,5-dimethylphenyl)…

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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) 4.32 0.8 -32.36 1 3 1 25 339.503 2 ↓

Analogs

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Popular Name: cyclopentyl-(2-fluoro-5-methoxy-phenyl)BLAHone cyclopentyl-(2-fluoro-5-methoxy-…

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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) 3.65 0.89 -31.79 1 4 1 34 359.465 3 ↓

Analogs

12594589
12594589

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Popular Name: cyclopentyl-(2,5-dimethylphenyl)BLAHone cyclopentyl-(2,5-dimethylphenyl)…

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) 4.32 0.79 -31.51 1 3 1 25 339.503 2 ↓

Parameters Provided:

ring.id = 2145
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 = 2145 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2145&filter.purchasability=annotated

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