UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-fluorobenzoyl)-phenethyl-BLAHone (4-fluorobenzoyl)-phenethyl-BLAHone

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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) 3.35 13.24 -19.49 0 5 0 55 433.508 4 ↓

Analogs

4345137
4345137

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Popular Name: (2-methylbenzoyl)-phenethyl-BLAHone (2-methylbenzoyl)-phenethyl-BLAHone

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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) 3.59 13.69 -18.73 0 5 0 55 429.545 4 ↓

Analogs

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Popular Name: (2-fluorobenzoyl)-phenethyl-BLAHone (2-fluorobenzoyl)-phenethyl-BLAHone

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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) 3.31 13.25 -24.67 0 5 0 55 433.508 4 ↓

Analogs

35497965
35497965

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Popular Name: (2,4-dimethoxybenzoyl)-phenethyl-BLAHone (2,4-dimethoxybenzoyl)-phenethyl…

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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) 3.78 12.21 -23.25 0 7 0 74 475.57 6 ↓

Analogs

4461137
4461137

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Popular Name: (3-methoxybenzoyl)-phenethyl-BLAHone (3-methoxybenzoyl)-phenethyl-BLA…

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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) 3.22 12.38 -22.08 0 6 0 64 445.544 5 ↓

Analogs

35497967
35497967
35842350
35842350

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Popular Name: phenethyl-[4-(trifluoromethyl)benzoyl]BLAHone phenethyl-[4-(trifluoromethyl)be…

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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) 4.09 14.16 -19.44 0 5 0 55 483.515 5 ↓

Analogs

4915791
4915791

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Popular Name: (3-chlorobenzoyl)-phenethyl-BLAHone (3-chlorobenzoyl)-phenethyl-BLAHone

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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) 3.84 13.68 -17.93 0 5 0 55 449.963 4 ↓

Analogs

35497973
35497973
35518383
35518383

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Popular Name: (4-butoxybenzoyl)-phenethyl-BLAHone (4-butoxybenzoyl)-phenethyl-BLAHone

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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) 4.68 14.9 -19.47 0 6 0 64 487.625 8 ↓

Parameters Provided:

ring.id = 17547
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 = 17547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17547&filter.purchasability=annotated

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