UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 10-(4-morpholinobutyl)phenoxazine 10-(4-morpholinobutyl)phenoxazine

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80858-1-O GC3/Cl Cell Line (cluster #1 Of 1), Other Other 2 0.51 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 5 0.48 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) 3.85 7.92 -8.74 0 4 0 31 324.424 5 ↓

Analogs

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Popular Name: 10-(4-piperidin-1-ium-1-ylbutyl)phenoxazine 10-(4-piperidin-1-ium-1-ylbutyl)…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80858-1-O GC3/Cl Cell Line (cluster #1 Of 1), Other Other 7000 0.30 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 7000 0.30 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) 4.92 1.61 -43.57 1 3 1 22 323.46 5 ↓

Analogs

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Popular Name: 2-[4-(4-phenoxazin-10-ylbutyl)piperazin-1-yl]ethanol 2-[4-(4-phenoxazin-10-ylbutyl)pi…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80858-1-O GC3/Cl Cell Line (cluster #1 Of 1), Other Other 7000 0.27 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 7000 0.27 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) 3.27 7.67 -48.58 2 5 1 46 368.501 7 ↓
Hi High (pH 8-9.5) 3.27 5.36 -10.93 1 5 0 45 367.493 7 ↓

Parameters Provided:

target.name = Z80858-1-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 'Z80858-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z80858-1-O&target.type=F10&filter.purchasability=purchasable

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