UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(2-indolin-1-ylethoxy)benzoic 4-(2-indolin-1-ylethoxy)benzoic

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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) 3.63 -1.49 -51.65 0 4 -1 53 282.319 5 ↓

Analogs

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Popular Name: 1-[2-(2-indolin-1-ylethoxy)phenyl]-N-methyl-methanamine 1-[2-(2-indolin-1-ylethoxy)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) 3.23 9.17 -40.24 2 3 1 29 283.395 6 ↓

Analogs

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Popular Name: 1-[3-(2-indolin-1-ylethoxy)phenyl]-N-methyl-methanamine 1-[3-(2-indolin-1-ylethoxy)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) 3.25 9.11 -41.5 2 3 1 29 283.395 6 ↓

Analogs

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Popular Name: 1-[4-(2-indolin-1-ylethoxy)phenyl]-N-methyl-methanamine 1-[4-(2-indolin-1-ylethoxy)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) 3.27 9.11 -41.77 2 3 1 29 283.395 6 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-cyanophenoxy)ethyl]indoline-2-carboxamide (2S)-1-[2-(2-cyanophenoxy)ethyl]…

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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) 2.70 6.43 -12.94 2 5 0 79 307.353 5 ↓

Analogs

15255449
15255449
15255452
15255452

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Popular Name: 3-[2-[(2R)-2-methylindolin-1-yl]ethoxy]aniline 3-[2-[(2R)-2-methylindolin-1-yl]…

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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) 3.10 7.59 -7.05 2 3 0 38 268.36 4 ↓

Analogs

15255449
15255449
15255452
15255452

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2S)-2-methylindolin-1-yl]ethoxy]aniline 3-[2-[(2S)-2-methylindolin-1-yl]…

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Activity (Go SEA)

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) 3.10 7.68 -6.86 2 3 0 38 268.36 4 ↓

Parameters Provided:

ring.id = 44794
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 = 44794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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