UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-Methyl-2-methylaminoimidazo[4,5-F]quinoline 3-Methyl-2-methylaminoimidazo[4,…

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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) 1.94 6.65 -11.87 1 4 0 43 212.256 1 ↓

Analogs

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Popular Name: 1H-Imidazo[4,5-f]quinoline, 2-methyl- (9CI) 1H-Imidazo[4,5-f]quinoline, 2-me…

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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) 1.78 4.43 -11.01 1 3 0 42 183.214 0 ↓

Analogs

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Popular Name: LS-80489 LS-80489

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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) 2.18 6.52 -10.85 0 4 0 34 226.283 1 ↓
Mid Mid (pH 6-8) 2.18 6.9 -29.07 1 4 1 35 227.291 1 ↓
Lo Low (pH 4.5-6) 2.18 7.18 -80.27 2 4 2 36 228.299 1 ↓

Analogs

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Popular Name: 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline 2-Amino-3-methyl-3H-imidazo[4,5-…

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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) 1.56 5.76 -11.71 2 4 0 57 198.229 0 ↓
Mid Mid (pH 6-8) 1.56 6.19 -33 3 4 1 58 199.237 0 ↓
Lo Low (pH 4.5-6) 1.56 6.48 -81.8 4 4 2 59 200.245 0 ↓

Analogs

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Popular Name: C20289; N-Hydroxy-IQ C20289; N-Hydroxy-IQ

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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) 1.62 4.53 -15.9 2 5 0 63 214.228 1 ↓
Mid Mid (pH 6-8) 1.62 4.99 -32.06 3 5 1 64 215.236 1 ↓
Lo Low (pH 4.5-6) 1.62 5.27 -81.01 4 5 2 65 216.244 1 ↓

Analogs

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Popular Name: 3H-Imidazo[4,5-f]quinoline, 3,7-dimethyl- (9CI) 3H-Imidazo[4,5-f]quinoline, 3,7-…

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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) 1.81 6.88 -11.72 0 3 0 31 197.241 0 ↓
Lo Low (pH 4.5-6) 1.81 7.35 -37.68 1 3 1 32 198.249 0 ↓

Parameters Provided:

ring.id = 133470
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 = 133470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=133470&filter.purchasability=annotated

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