UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-5-(2-naphthylsulfanyl)aniline 2-methyl-5-(2-naphthylsulfanyl)a…

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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) 4.95 9.53 -5.61 2 1 0 26 265.381 2 ↓

Analogs

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Popular Name: 2-(2-naphthylsulfanyl)-5-nitro-aniline 2-(2-naphthylsulfanyl)-5-nitro-a…

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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) 4.46 9.53 -6.89 2 4 0 72 296.351 3 ↓

Analogs

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Popular Name: 5-(diethylsulfamoyl)-2-(2-naphthylsulfanyl)benzoic 5-(diethylsulfamoyl)-2-(2-naphth…

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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) 4.65 9.98 -59.36 0 5 -1 78 414.528 7 ↓

Analogs

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Popular Name: 5-(2-naphthylsulfanyl)-2-nitro-benzoic 5-(2-naphthylsulfanyl)-2-nitro-b…

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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) 5.07 11.5 -57.8 0 5 -1 86 324.337 4 ↓

Analogs

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Popular Name: 2-[[4-(2-naphthylsulfanyl)-3-nitro-benzoyl]amino]acetic 2-[[4-(2-naphthylsulfanyl)-3-nit…

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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 9.5 -46 1 7 -1 115 381.389 6 ↓

Analogs

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Popular Name: (2S)-2-[[4-(2-naphthylsulfanyl)-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-(2-naphthylsulfanyl)-…

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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 10.36 -46.63 1 7 -1 115 395.416 6 ↓

Analogs

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Popular Name: (E)-3-[4-(2-naphthylsulfanyl)-3-nitro-phenyl]prop-2-enoic (E)-3-[4-(2-naphthylsulfanyl)-3-…

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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) 4.95 12.13 -49.83 0 5 -1 86 350.375 5 ↓

Analogs

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Popular Name: 2-(2-naphthylsulfanyl)-5-sulfamoyl-benzoic 2-(2-naphthylsulfanyl)-5-sulfamo…

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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) 3.28 5.22 -59.18 2 5 -1 100 358.42 4 ↓

Analogs

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Popular Name: 4-(2-naphthylsulfanyl)-3-nitro-benzoic 4-(2-naphthylsulfanyl)-3-nitro-b…

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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) 4.89 10.89 -46.27 0 5 -1 86 324.337 4 ↓

Analogs

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Popular Name: 5-(methylsulfamoyl)-2-(2-naphthylsulfanyl)benzoic 5-(methylsulfamoyl)-2-(2-naphthy…

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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) 3.66 6.43 -59.42 1 5 -1 86 372.447 5 ↓

Analogs

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Popular Name: 4-amino-2-(2-naphthylsulfanyl)benzoic 4-amino-2-(2-naphthylsulfanyl)be…

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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) 3.66 9.17 -55.12 2 3 -1 66 294.355 3 ↓

Parameters Provided:

ring.id = 7258
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 = 7258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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