UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22197330
22197330
22197289
22197289
9127616
9127616

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Popular Name: 4-hydroxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide 4-hydroxy-N-[2-[(4-methyl-1,2,4-…

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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) 2.30 7.46 -49.44 1 10 -1 146 406.425 6 ↓
Hi High (pH 8-9.5) 2.30 7.62 -104.97 0 10 -2 148 405.417 6 ↓
Mid Mid (pH 6-8) 2.30 6.47 -21.26 2 10 0 143 407.433 6 ↓

Analogs

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Popular Name: 5-[[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]-2-fluoro-benzoic 5-[[5-chloro-2-[(4-methyl-1,2,4-…

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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) 2.95 8.97 -116.33 0 8 -2 119 440.865 6 ↓

Analogs

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Popular Name: 2-chloro-4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide 2-chloro-4-methyl-N-[2-[(4-methy…

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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) 3.68 8.71 -20.82 1 6 0 77 394.909 5 ↓
Mid Mid (pH 6-8) 3.68 8.78 -56.16 0 6 -1 79 393.901 5 ↓

Analogs

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Popular Name: ethyl 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) 3.18 9.28 -17.84 1 8 0 103 418.5 8 ↓
Mid Mid (pH 6-8) 3.18 9.5 -49.43 0 8 -1 105 417.492 8 ↓

Analogs

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Popular Name: N-[5-bromo-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-difluoro-benzenesulfonamide N-[5-bromo-2-[(4-methyl-1,2,4-tr…

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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) 3.67 8.61 -48.43 0 6 -1 79 460.305 5 ↓
Lo Low (pH 4.5-6) 3.67 8.44 -15.31 1 6 0 77 461.313 5 ↓

Analogs

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Popular Name: 3-[[5-bromo-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic 3-[[5-bromo-2-[(4-methyl-1,2,4-t…

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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) 3.30 9.05 -119.07 0 8 -2 119 467.326 6 ↓
Mid Mid (pH 6-8) 3.30 8.87 -56.63 1 8 -1 117 468.334 6 ↓

Analogs

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Popular Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide N-[2-[(4-methyl-1,2,4-triazol-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) 3.55 8.12 -59.6 0 7 -1 88 429.425 7 ↓
Mid Mid (pH 6-8) 3.55 7.98 -18.4 1 7 0 86 430.433 7 ↓

Analogs

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Popular Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-methoxy-benzenesulfonamide N-[5-chloro-2-[(4-methyl-1,2,4-t…

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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) 3.34 7.5 -16.68 1 7 0 86 410.908 6 ↓

Analogs

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Popular Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propyl-benzenesulfonamide N-[5-chloro-2-[(4-methyl-1,2,4-t…

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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) 4.59 10.42 -16.1 1 6 0 77 422.963 7 ↓

Analogs

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Popular Name: 2-fluoro-5-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide 2-fluoro-5-methyl-N-[2-[(4-methy…

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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) 3.17 8.59 -62.53 0 6 -1 79 377.446 5 ↓
Mid Mid (pH 6-8) 3.17 8.14 -18.15 1 6 0 77 378.454 5 ↓

Analogs

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Popular Name: 3-chloro-2-fluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide 3-chloro-2-fluoro-N-[2-[(4-methy…

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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) 3.37 8.43 -58.29 0 6 -1 79 397.864 5 ↓
Mid Mid (pH 6-8) 3.37 7.97 -18 1 6 0 77 398.872 5 ↓

Parameters Provided:

ring.id = 109596
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 109596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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