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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33795587
33795587
33795588
33795588

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Popular Name: Warfarin Warfarin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALBU-1-E Serum Albumin (cluster #1 Of 1), Eukaryotic Eukaryotes 5400 0.32 ADME/T ≤ 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) 3.03 9.79 -44.53 0 4 -1 70 307.325 4 ↓
Ref Reference (pH 7) 3.03 9.63 -45.04 0 4 -1 70 307.325 4 ↓
Mid Mid (pH 6-8) 3.03 8.59 -21.61 1 4 0 68 308.333 4 ↓

Analogs

5159731
5159731
5159745
5159745
5159763
5159763
5167101
5167101
5196632
5196632

Draw Identity 99% 90% 80% 70%

Popular Name: Warfarin Warfarin

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Vendors

And 32 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALBU-1-E Serum Albumin (cluster #1 Of 1), Eukaryotic Eukaryotes 5400 0.32 ADME/T ≤ 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) 3.03 9.53 -53.12 0 4 -1 70 307.325 4 ↓
Mid Mid (pH 6-8) 3.03 8.5 -11.58 1 4 0 68 308.333 4 ↓
Lo Low (pH 4.5-6) 3.03 9.3 -22.82 1 4 0 68 308.333 4 ↓

Analogs

6142696
6142696
40176706
40176706

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Popular Name: 2-(3-morpholinosulfonylbenzoyl)aminobenzoic 2-(3-morpholinosulfonylbenzoyl)a…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALBU-1-E Serum Albumin (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.27 ADME/T ≤ 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) 2.01 4.95 -51.91 1 8 -1 116 389.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide 2-Chloro-N-(4-chloro-3-(pyridin-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SHH-1-E Sonic Hedgehog Protein (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.44 Binding ≤ 10μM
ALBU-1-E Serum Albumin (cluster #1 Of 1), Eukaryotic Eukaryotes 5800 0.27 ADME/T ≤ 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) 3.56 7.07 -22.4 1 5 0 76 421.305 4 ↓

Parameters Provided:

annotation.name = ALBU_HUMAN
anotation.type = B10
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 'ALBU\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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