UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: isobutyl-[3-(trifluoromethyl)benzoyl]BLAHone isobutyl-[3-(trifluoromethyl)ben…

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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) 3.38 11.23 -16.48 0 5 0 55 435.471 4 ↓

Analogs

35842350
35842350

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Popular Name: isobutyl-[4-(trifluoromethyl)benzoyl]BLAHone isobutyl-[4-(trifluoromethyl)ben…

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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) 3.40 11.66 -17.99 0 5 0 55 435.471 4 ↓

Analogs

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Popular Name: (4-butoxybenzoyl)-isobutyl-BLAHone (4-butoxybenzoyl)-isobutyl-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) 4.00 12.4 -18.06 0 6 0 64 439.581 7 ↓

Analogs

35497947
35497947

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

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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) 2.85 9.64 -23.15 0 7 0 74 413.499 5 ↓

Analogs

35842350
35842350
35497955
35497955

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Popular Name: propyl-[4-(trifluoromethyl)benzoyl]BLAHone propyl-[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) 3.16 11.14 -18.41 0 5 0 55 421.444 4 ↓

Analogs

35518383
35518383
35497959
35497959

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Popular Name: (4-butoxybenzoyl)-propyl-BLAHone (4-butoxybenzoyl)-propyl-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) 3.76 11.88 -18.4 0 6 0 64 425.554 7 ↓

Analogs

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Popular Name: benzoyl(2-dimethylaminoethyl)BLAHone benzoyl(2-dimethylaminoethyl)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) 1.42 10.69 -55.03 1 6 1 60 383.497 4 ↓

Analogs

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Popular Name: (4-tert-butylbenzoyl)-(2-dimethylaminoethyl)BLAHone (4-tert-butylbenzoyl)-(2-dimethy…

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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) 3.12 12.93 -53.86 1 6 1 60 439.605 5 ↓

Analogs

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Popular Name: 2-dimethylaminoethyl-[3-(trifluoromethyl)benzoyl]BLAHone 2-dimethylaminoethyl-[3-(trifluo…

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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) 2.29 11.7 -53.52 1 6 1 60 451.494 5 ↓

Analogs

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Popular Name: 2-dimethylaminoethyl-[4-(trifluoromethyl)benzoyl]BLAHone 2-dimethylaminoethyl-[4-(trifluo…

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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) 2.31 11.69 -54.64 1 6 1 60 451.494 5 ↓

Analogs

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Popular Name: (4-butoxybenzoyl)-(2-dimethylaminoethyl)BLAHone (4-butoxybenzoyl)-(2-dimethylami…

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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) 2.91 12.43 -55.29 1 7 1 69 455.604 8 ↓

Analogs

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Popular Name: (4-tert-butylbenzoyl)-(3-methoxypropyl)BLAHone (4-tert-butylbenzoyl)-(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) 3.35 11.45 -19.61 0 6 0 64 439.581 6 ↓

Analogs

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Popular Name: (2,4-dimethoxybenzoyl)-(3-methoxypropyl)BLAHone (2,4-dimethoxybenzoyl)-(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) 2.23 8.71 -25.27 0 8 0 83 443.525 7 ↓

Analogs

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Popular Name: (4-butoxybenzoyl)-(3-methoxypropyl)BLAHone (4-butoxybenzoyl)-(3-methoxyprop…

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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 10.95 -20.49 0 7 0 74 455.58 9 ↓

Analogs

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Popular Name: allyl-[3-(trifluoromethyl)benzoyl]BLAHone allyl-[3-(trifluoromethyl)benzoy…

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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) 2.90 10.94 -17.22 0 5 0 55 419.428 4 ↓

Analogs

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Popular Name: allyl-(4-butoxybenzoyl)BLAHone allyl-(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) 3.52 11.68 -18.75 0 6 0 64 423.538 7 ↓

Parameters Provided:

ring.id = 17528
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 = 17528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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