UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N,1-trimethyl-3-(4-methylpiperazine-1-carbonyl)-4-oxo-quinoline-6-sulfonamide N,N,1-trimethyl-3-(4-methylpiper…

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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) -0.98 3.9 -35.05 0 8 0 83 392.481 3 ↓

Analogs

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Popular Name: 3-(4-ethylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxo-quinoline-6-sulfonamide 3-(4-ethylpiperazine-1-carbonyl)…

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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) -0.61 4.64 -34.56 0 8 0 83 406.508 4 ↓

Analogs

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Popular Name: BRD-K27287387-001-01-8 BRD-K27287387-001-01-8

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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) -0.61 3.97 -31.8 0 8 0 83 406.508 4 ↓

Analogs

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Popular Name: 1-ethyl-3-(4-ethylpiperazine-1-carbonyl)-N,N-dimethyl-4-oxo-quinoline-6-sulfonamide 1-ethyl-3-(4-ethylpiperazine-1-c…

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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) -0.23 4.94 -28.26 0 8 0 83 420.535 5 ↓

Analogs

15951860
15951860

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Popular Name: 1-allyl-N,N-diethyl-3-(4-methylpiperazine-1-carbonyl)-4-oxo-quinoline-6-sulfonamide 1-allyl-N,N-diethyl-3-(4-methylp…

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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) 0.41 6.41 -27.91 0 8 0 83 446.573 7 ↓
Mid Mid (pH 6-8) 0.41 8.77 -61.42 1 8 1 84 447.581 7 ↓

Analogs

33938646
33938646
39981390
39981390

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Popular Name: 1-[4-(4-hydroxy-8-methoxy-quinoline-3-carbonyl)piperazin-1-yl]ethanone 1-[4-(4-hydroxy-8-methoxy-quinol…

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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) -1.14 4.68 -25.87 1 7 0 83 329.356 2 ↓
Hi High (pH 8-9.5) 0.16 3.16 -55.31 0 7 -1 86 328.348 2 ↓

Analogs

6088036
6088036

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Popular Name: 1-[4-(8-fluoro-4-hydroxy-quinoline-3-carbonyl)piperazin-1-yl]ethanone 1-[4-(8-fluoro-4-hydroxy-quinoli…

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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) -1.03 5.4 -24.41 1 6 0 73 317.32 1 ↓
Mid Mid (pH 6-8) 0.27 3.88 -50.6 0 6 -1 77 316.312 1 ↓

Parameters Provided:

ring.id = 69336
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 = 69336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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