UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34956074
34956074
39859512
39859512
39859513
39859513
39859520
39859520
39859521
39859521

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Popular Name: N-[(4-isobutoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenyl-acetamide N-[(4-isobutoxyphenyl)-[(2-pheny…

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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) 4.88 -0.3 -19.14 2 5 0 67 430.548 10 ↓

Analogs

38588535
38588535
39859540
39859540
8384869
8384869

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Popular Name: N-[(4-methoxy-3-propoxy-phenyl)-[(2-phenylacetyl)amino]methyl]-2-phenyl-acetamide N-[(4-methoxy-3-propoxy-phenyl)-…

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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) 4.23 11.66 -21.58 2 6 0 77 446.547 11 ↓

Analogs

39859540
39859540
8384869
8384869
38588474
38588474

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Popular Name: 2-(4-methoxyphenyl)-N-[[[2-(4-methoxyphenyl)acetyl]amino]-(4-methoxy-3-propoxy-phenyl)methyl]acetami 2-(4-methoxyphenyl)-N-[[[2-(4-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) 4.34 10.26 -25.12 2 8 0 95 506.599 13 ↓

Analogs

39859541
39859541
8858642
8858642

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Popular Name: N-[(3-butoxy-4-methoxy-phenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)acetamid N-[(3-butoxy-4-methoxy-phenyl)-[…

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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) 4.90 11.04 -25.09 2 8 0 95 520.626 14 ↓

Analogs

38588632
38588632
39859542
39859542
10212903
10212903

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Popular Name: N-[(3-isobutoxy-4-methoxy-phenyl)-[(2-phenylacetyl)amino]methyl]-2-phenyl-acetamide N-[(3-isobutoxy-4-methoxy-phenyl…

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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) 4.47 12.34 -21.36 2 6 0 77 460.574 11 ↓

Analogs

39859542
39859542
10212903
10212903
38588629
38588629

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Popular Name: N-[(3-isobutoxy-4-methoxy-phenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)aceta N-[(3-isobutoxy-4-methoxy-phenyl…

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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) 4.58 10.94 -24.97 2 8 0 95 520.626 13 ↓

Analogs

38588744
38588744
39859539
39859539
8858631
8858631

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Popular Name: N-[(3-isopropoxy-4-methoxy-phenyl)-[(2-phenylacetyl)amino]methyl]-2-phenyl-acetamide N-[(3-isopropoxy-4-methoxy-pheny…

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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) 4.09 11.5 -21.7 2 6 0 77 446.547 10 ↓

Analogs

39859539
39859539
8858631
8858631
38588741
38588741

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Popular Name: N-[(3-isopropoxy-4-methoxy-phenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)acet N-[(3-isopropoxy-4-methoxy-pheny…

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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) 4.20 10.1 -25.27 2 8 0 95 506.599 12 ↓

Analogs

38588809
38588809
38588930
38588930
39859544
39859544
8384855
8384855

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Popular Name: N-[(4-methoxy-3-pentoxy-phenyl)-[(2-phenylacetyl)amino]methyl]-2-phenyl-acetamide N-[(4-methoxy-3-pentoxy-phenyl)-…

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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) 5.29 13.22 -21.39 2 6 0 77 474.601 13 ↓

Analogs

38588930
38588930
39859544
39859544
8384855
8384855
38588806
38588806

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Popular Name: N-[(4-methoxy-3-pentoxy-phenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)acetami N-[(4-methoxy-3-pentoxy-phenyl)-…

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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) 5.41 11.82 -24.94 2 8 0 95 534.653 15 ↓

Analogs

39859543
39859543
8858662
8858662

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Popular Name: N-[(3-isopentyloxy-4-methoxy-phenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)ac N-[(3-isopentyloxy-4-methoxy-phe…

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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) 5.12 11.57 -24.83 2 8 0 95 534.653 14 ↓

Analogs

38588809
38588809
38588806
38588806
8858673
8858673

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Popular Name: N-[(3-hexoxy-4-methoxy-phenyl)-[(2-phenylacetyl)amino]methyl]-2-phenyl-acetamide N-[(3-hexoxy-4-methoxy-phenyl)-[…

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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) 5.80 14.01 -21.41 2 6 0 77 488.628 14 ↓

Parameters Provided:

ring.id = 100163
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 = 100163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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