UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15936656
15936656
15935781
15935781

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Popular Name: (4-fluorophenyl)-dimethyl-BLAHtetrone (4-fluorophenyl)-dimethyl-BLAHte…

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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) 1.21 8.48 -20.03 1 7 0 87 407.401 1 ↓

Analogs

15935781
15935781
15935782
15935782

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Popular Name: (4-fluorophenyl)-methyl-BLAHtetrone (4-fluorophenyl)-methyl-BLAHtetrone

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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) 0.76 8.25 -20.65 1 7 0 87 393.374 1 ↓

Analogs

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Popular Name: (3-chlorophenyl)-ethyl-BLAHtetrone (3-chlorophenyl)-ethyl-BLAHtetrone

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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) 1.63 9.69 -17.46 1 7 0 87 423.856 2 ↓

Analogs

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Popular Name: methyl-(m-tolyl)BLAHtetrone methyl-(m-tolyl)BLAHtetrone

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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) 1.02 8.84 -19.29 1 7 0 87 389.411 1 ↓

Analogs

15974643
15974643
12726585
12726585

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Popular Name: methyl-(p-tolyl)BLAHtetrone methyl-(p-tolyl)BLAHtetrone

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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) 1.05 8.84 -19.3 1 7 0 87 389.411 1 ↓

Parameters Provided:

ring.id = 254267
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 = 254267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=254267&filter.purchasability=annotated

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