UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(4-aminophenoxy)ethyl]-5-bromo-pyridine-3-sulfonamide N-[2-(4-aminophenoxy)ethyl]-5-br…

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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) 1.65 0.82 -10.45 3 6 0 94 372.244 6 ↓

Analogs

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Popular Name: N-[2-(3-aminophenoxy)ethyl]-5-bromo-pyridine-3-sulfonamide N-[2-(3-aminophenoxy)ethyl]-5-br…

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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) 1.62 0.83 -10.71 3 6 0 94 372.244 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-aminophenoxy)ethyl]-5-bromo-pyridine-3-sulfonamide N-[2-(2-aminophenoxy)ethyl]-5-br…

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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) 2.01 0.96 -10.08 3 6 0 94 372.244 6 ↓

Analogs

42897291
42897291
42897312
42897312

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Popular Name: 2,6-dichloro-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide 2,6-dichloro-N-[2-(4-methylpheno…

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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) 3.89 3.47 -9.83 1 5 0 68 361.25 6 ↓
Hi High (pH 8-9.5) 3.89 3.57 -40.8 0 5 -1 70 360.242 6 ↓

Analogs

37980349
37980349

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Popular Name: 6-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-pyridine-3-sulfonamide 6-chloro-N-[2-(2-methoxyphenoxy)…

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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) 2.50 5.27 -16.22 0 6 0 69 356.831 7 ↓

Analogs

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Popular Name: 6-amino-N-methyl-N-(2-phenoxyethyl)pyridine-3-sulfonamide 6-amino-N-methyl-N-(2-phenoxyeth…

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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) 1.69 3.85 -14.9 2 6 0 86 307.375 6 ↓

Analogs

44260280
44260280
44260284
44260284
44260288
44260288

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Popular Name: N-[2-(4-fluorophenoxy)ethyl]pyridine-3-sulfonamide N-[2-(4-fluorophenoxy)ethyl]pyri…

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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) 1.78 2.44 -12.13 1 5 0 68 296.323 6 ↓

Analogs

44258081
44258081
42898628
42898628

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Popular Name: N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide N-[2-(3-methylphenoxy)ethyl]pyri…

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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) 2.04 3.05 -12.3 1 5 0 68 292.36 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]pyridine-3-sulfonamide N-[2-(4-chlorophenoxy)ethyl]pyri…

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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) 2.29 2.89 -11.5 1 5 0 68 312.778 6 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-phenoxy-ethyl]pyridine-3-sulfonamide N-[(1S)-1-methyl-2-phenoxy-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) 1.95 3.06 -11.98 1 5 0 68 292.36 6 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-phenoxy-ethyl]pyridine-3-sulfonamide N-[(1R)-1-methyl-2-phenoxy-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) 1.95 3.01 -11.48 1 5 0 68 292.36 6 ↓

Analogs

42898628
42898628

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Popular Name: N-[2-(2-methylphenoxy)ethyl]pyridine-3-sulfonamide N-[2-(2-methylphenoxy)ethyl]pyri…

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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) 2.02 3.13 -12.09 1 5 0 68 292.36 6 ↓

Parameters Provided:

ring.id = 6044
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 = 6044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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