UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34583928
34583928
39321388
39321388
39850613
39850613
39850614
39850614
44194333
44194333

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Popular Name: (2R)-1-[2-(1-hydroxyethyl)phenoxy]propan-2-ol (2R)-1-[2-(1-hydroxyethyl)phenox…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 780 0.61 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) 1.24 0.66 -7.47 2 3 0 50 196.246 4 ↓

Analogs

27983983
27983983
34583928
34583928
39321388
39321388
39850613
39850613
39850614
39850614

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Popular Name: (2R)-1-[2-(1-hydroxyethyl)phenoxy]propan-2-ol (2R)-1-[2-(1-hydroxyethyl)phenox…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 580 0.62 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) 1.24 0.66 -7.49 2 3 0 50 196.246 4 ↓

Analogs

3644929
3644929
1530759
1530759

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Popular Name: Propafenone hydrochloride Propafenone hydrochloride

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Vendors

And 30 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 800 0.34 Binding ≤ 10μM
MDR1-1-E P-glycoprotein 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.30 Binding ≤ 10μM
MDR1-1-E P-glycoprotein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 320 0.36 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 316 0.36 Functional ≤ 10μM
Z80066-1-O CCRF-CEM/VCR-1000 (cluster #1 Of 1), Other Other 1080 0.33 Functional ≤ 10μM
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 260 0.37 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) 3.46 9.61 -45.97 3 4 1 63 342.459 11 ↓
Hi High (pH 8-9.5) 3.46 8.19 -12.18 2 4 0 59 341.451 11 ↓

Analogs

27898152
27898152
27902433
27902433
27983983
27983983
34583928
34583928
39321388
39321388

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Popular Name: (2S)-1-[2-(1-hydroxyethyl)phenoxy]propan-2-ol (2S)-1-[2-(1-hydroxyethyl)phenox…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 1400 0.59 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) 1.24 0.7 -9.21 2 3 0 50 196.246 4 ↓

Analogs

27902433
27902433
27983983
27983983
34583928
34583928
39321388
39321388
39850613
39850613

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(1-hydroxyethyl)phenoxy]propan-2-ol (2S)-1-[2-(1-hydroxyethyl)phenox…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 1560 0.58 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) 1.24 0.65 -7.48 2 3 0 50 196.246 4 ↓

Parameters Provided:

annotation.name = Z80083
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z80083' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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