UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone 2,3-dichloro-5,8-dimethoxy-1,4-n…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 220 0.52 Functional ≤ 10μM
Z80462-1-O SCLC (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other Other 1000 0.47 Functional ≤ 10μM

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 6.73 -10.95 0 4 0 53 287.098 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5,8-dihydroxy-3-phenoxy-naphthalene-1,4-dione 2-chloro-5,8-dihydroxy-3-phenoxy…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 220 0.42 Functional ≤ 10μM
Z80462-1-O SCLC (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other Other 250 0.42 Functional ≤ 10μM

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) 3.42 6 -10.81 2 5 0 84 316.696 2 ↓
Hi High (pH 8-9.5) 3.42 7.01 -43.74 1 5 -1 87 315.688 2 ↓
Mid Mid (pH 6-8) 3.42 7.31 -47.69 1 5 -1 87 315.688 2 ↓

Analogs

34535205
34535205

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Popular Name: 2,3-DICHLORO-5,8-DIHYDROXY-1,4-NAPHTHOQUINONE 2,3-DICHLORO-5,8-DIHYDROXY-1,4-N…

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 49 0.64 Functional ≤ 10μM
Z80462-1-O SCLC (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other Other 300 0.57 Functional ≤ 10μM

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) 2.35 3.13 -8.4 2 4 0 75 259.044 0 ↓
Mid Mid (pH 6-8) 2.35 4.1 -40.67 1 4 -1 77 258.036 0 ↓
Mid Mid (pH 6-8) 2.35 4.13 -38.29 1 4 -1 77 258.036 0 ↓

Parameters Provided:

target.name = Z80462-1-O
target.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z80462-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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