UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8381472
8381472
15365285
15365285

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Popular Name: N-[2-(4-fluorophenyl)ethyl]naphthalene-2-sulfonamide N-[2-(4-fluorophenyl)ethyl]napht…

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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) 4.16 7.65 -11.82 1 3 0 46 329.396 5 ↓

Analogs

10505058
10505058

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]naphthalene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -2.78 -48.58 2 5 1 59 399.536 8 ↓

Analogs

10505056
10505056

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]naphthalene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -2.43 -46.6 2 5 1 59 399.536 8 ↓

Analogs

10505490
10505490

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]naphthalene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 3.45 -2.66 -50.5 2 6 1 69 415.535 8 ↓

Analogs

10505485
10505485

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]naphthalene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 3.45 -2.59 -51.83 2 6 1 69 415.535 8 ↓

Analogs

10505923
10505923

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]naphthalene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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) 3.97 -1.72 -48.66 2 4 1 50 373.473 6 ↓

Analogs

10505919
10505919

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]naphthalene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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) 3.97 -2.19 -50.07 2 4 1 50 373.473 6 ↓

Analogs

10506749
10506749

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]naphthalene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 3.86 -2.44 -46.58 2 5 1 59 385.509 7 ↓

Analogs

10506745
10506745

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]naphthalene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 3.86 -2.71 -51.34 2 5 1 59 385.509 7 ↓

Analogs

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Popular Name: N-[2-(4-dimethylaminophenyl)ethyl]naphthalene-2-sulfonamide N-[2-(4-dimethylaminophenyl)ethy…

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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) 4.10 8.04 -12.52 1 4 0 49 354.475 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]naphthalene-2-sulfonamide N-[(2R)-2-(dimethylamino)-2-(3-f…

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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) 3.94 8.71 -51 2 4 1 51 373.473 6 ↓
Mid Mid (pH 6-8) 3.94 6.93 -10.55 1 4 0 49 372.465 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]naphthalene-2-sulfonamide N-[(2S)-2-(dimethylamino)-2-(3-f…

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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) 3.94 8.72 -52.51 2 4 1 51 373.473 6 ↓
Mid Mid (pH 6-8) 3.94 6.37 -10.96 1 4 0 49 372.465 6 ↓

Parameters Provided:

ring.id = 2290
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 = 2290 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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