UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35498082
35498082

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Popular Name: benzyl-(2-fluorobenzoyl)BLAHone benzyl-(2-fluorobenzoyl)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) 3.10 12.47 -25.16 0 5 0 55 419.481 3 ↓

Analogs

35518422
35518422

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Popular Name: benzyl-[3-(trifluoromethyl)benzoyl]BLAHone benzyl-[3-(trifluoromethyl)benzo…

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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) 3.85 13.39 -18.43 0 5 0 55 469.488 4 ↓

Analogs

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Popular Name: benzyl-(3-methoxybenzoyl)BLAHone benzyl-(3-methoxybenzoyl)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) 3.01 11.6 -22.48 0 6 0 64 431.517 4 ↓

Analogs

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Popular Name: benzyl-(2-methoxybenzoyl)BLAHone benzyl-(2-methoxybenzoyl)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) 3.54 12.09 -23.37 0 6 0 64 431.517 4 ↓

Analogs

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Popular Name: benzyl-[4-(trifluoromethyl)benzoyl]BLAHone benzyl-[4-(trifluoromethyl)benzo…

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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) 3.88 13.39 -19.82 0 5 0 55 469.488 4 ↓

Analogs

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Popular Name: benzyl-(3-chlorobenzoyl)BLAHone benzyl-(3-chlorobenzoyl)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) 3.63 12.89 -18.37 0 5 0 55 435.936 3 ↓

Analogs

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Popular Name: benzyl-(4-butoxybenzoyl)BLAHone benzyl-(4-butoxybenzoyl)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) 4.47 14.12 -19.91 0 6 0 64 473.598 7 ↓

Analogs

35840391
35840391

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Popular Name: benzoyl-[(4-fluorophenyl)methyl]BLAHone benzoyl-[(4-fluorophenyl)methyl]…

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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) 3.14 12.37 -21.32 0 5 0 55 419.481 3 ↓

Analogs

35497899
35497899

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Popular Name: (2-fluorobenzoyl)-[(4-fluorophenyl)methyl]BLAHone (2-fluorobenzoyl)-[(4-fluorophen…

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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) 3.26 12.43 -25.57 0 5 0 55 437.471 3 ↓

Analogs

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Popular Name: (4-tert-butylbenzoyl)-[(4-fluorophenyl)methyl]BLAHone (4-tert-butylbenzoyl)-[(4-fluoro…

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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) 4.85 14.69 -20.49 0 5 0 55 475.589 4 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl-[3-(trifluoromethyl)benzoyl]BLAHone (4-fluorophenyl)methyl-[3-(trifl…

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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) 4.01 13.36 -23.33 0 5 0 55 487.478 4 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl-(3-methoxybenzoyl)BLAHone (4-fluorophenyl)methyl-(3-methox…

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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) 3.18 11.67 -23.99 0 6 0 64 449.507 4 ↓

Analogs

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Popular Name: (4-butoxybenzoyl)-[(4-fluorophenyl)methyl]BLAHone (4-butoxybenzoyl)-[(4-fluorophen…

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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) 4.64 14.19 -21.36 0 6 0 64 491.588 7 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl-(2-methylbenzoyl)BLAHone (2-fluorophenyl)methyl-(2-methyl…

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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) 3.50 12.72 -14.3 0 5 0 55 433.508 3 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl-(3-methoxybenzoyl)BLAHone (2-fluorophenyl)methyl-(3-methox…

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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) 3.13 11.4 -17.59 0 6 0 64 449.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)methyl-(2-methoxybenzoyl)BLAHone (2-fluorophenyl)methyl-(2-methox…

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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 11.89 -18.46 0 6 0 64 449.507 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butoxybenzoyl)-[(2-fluorophenyl)methyl]BLAHone (4-butoxybenzoyl)-[(2-fluorophen…

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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) 4.59 13.93 -15.13 0 6 0 64 491.588 7 ↓

Parameters Provided:

ring.id = 17537
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 = 17537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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