UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-thienylmethylsulfonyl)benzoic 2-(3-thienylmethylsulfonyl)benzoic

Find On: PubMed — Wikipedia — Google

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) 1.95 5.86 -52.03 0 4 -1 74 281.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-thienylmethylsulfonyl)benzoic 4-(3-thienylmethylsulfonyl)benzoic

Find On: PubMed — Wikipedia — Google

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) 1.90 5.44 -51.57 0 4 -1 74 281.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-thienylmethylsulfonyl)benzoic 3-(3-thienylmethylsulfonyl)benzoic

Find On: PubMed — Wikipedia — Google

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) 1.88 5.43 -54.98 0 4 -1 74 281.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-(3-thienylmethylsulfonyl)benzoic 2-methoxy-5-(3-thienylmethylsulf…

Find On: PubMed — Wikipedia — Google

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) 1.97 5.5 -61.36 0 5 -1 84 311.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-fluoro-3-(3-thienylmethylsulfonyl)benzoic 5-bromo-2-fluoro-3-(3-thienylmet…

Find On: PubMed — Wikipedia — Google

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) 2.83 6.04 -48.15 0 4 -1 74 378.22 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-(3-thienylmethylsulfonyl)benzoic 2-bromo-5-(3-thienylmethylsulfon…

Find On: PubMed — Wikipedia — Google

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) 2.30 5.92 -52.88 0 4 -1 74 360.23 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-fluoro-3-(3-thienylmethylsulfonyl)benzoic 5-chloro-2-fluoro-3-(3-thienylme…

Find On: PubMed — Wikipedia — Google

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) 2.70 5.93 -48.24 0 4 -1 74 333.769 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-(3-thienylmethylsulfonyl)benzoic 4-methoxy-3-(3-thienylmethylsulf…

Find On: PubMed — Wikipedia — Google

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) 2.33 5.23 -57.44 0 5 -1 84 311.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-(3-thienylmethylsulfonyl)benzoic 3,4-dimethyl-5-(3-thienylmethyls…

Find On: PubMed — Wikipedia — Google

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) 3.09 6.56 -61.7 0 4 -1 74 309.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(3-thienylmethylsulfonyl)benzoic 2-methyl-5-(3-thienylmethylsulfo…

Find On: PubMed — Wikipedia — Google

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) 1.94 6.08 -57.13 0 4 -1 74 295.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-3-(3-thienylmethylsulfonyl)benzoic 2,6-dichloro-3-(3-thienylmethyls…

Find On: PubMed — Wikipedia — Google

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) 3.21 6.1 -48.56 0 4 -1 74 350.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(3-thienylmethylsulfonyl)benzoic 2,4-dichloro-5-(3-thienylmethyls…

Find On: PubMed — Wikipedia — Google

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) 3.21 6.22 -48.56 0 4 -1 74 350.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-(3-thienylmethylsulfonyl)benzoic 4-methyl-3-(3-thienylmethylsulfo…

Find On: PubMed — Wikipedia — Google

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) 2.72 6.05 -59.54 0 4 -1 74 295.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3-thienylmethylsulfonyl)phenyl]propanoic 3-[4-(3-thienylmethylsulfonyl)ph…

Find On: PubMed — Wikipedia — Google

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) 1.93 7.02 -50.81 0 4 -1 74 309.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-(3-thienylmethylsulfonyl)benzoic 2-fluoro-5-(3-thienylmethylsulfo…

Find On: PubMed — Wikipedia — Google

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) 1.65 5.46 -57.28 0 4 -1 74 299.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-(3-thienylmethylsulfonyl)benzoic 4-fluoro-3-(3-thienylmethylsulfo…

Find On: PubMed — Wikipedia — Google

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) 2.43 5.46 -50.87 0 4 -1 74 299.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-3-(3-thienylmethylsulfonyl)benzoic 2,6-difluoro-3-(3-thienylmethyls…

Find On: PubMed — Wikipedia — Google

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) 2.19 5.45 -56.21 0 4 -1 74 317.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(3-thienylmethylsulfonyl)benzoic 4-chloro-3-(3-thienylmethylsulfo…

Find On: PubMed — Wikipedia — Google

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) 2.95 5.82 -50.58 0 4 -1 74 315.779 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(3-thienylmethylsulfonyl)benzoic 2-chloro-5-(3-thienylmethylsulfo…

Find On: PubMed — Wikipedia — Google

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) 2.17 5.82 -53.74 0 4 -1 74 315.779 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-(3-thienylmethylsulfonyl)benzoic 4-bromo-3-(3-thienylmethylsulfon…

Find On: PubMed — Wikipedia — Google

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) 3.08 5.94 -50.3 0 4 -1 74 360.23 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-(3-thienylmethylsulfonyl)benzoic 4-ethyl-3-(3-thienylmethylsulfon…

Find On: PubMed — Wikipedia — Google

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) 3.18 6.63 -58.24 0 4 -1 74 309.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-(3-thienylmethylsulfonyl)benzoic 2,4-dimethyl-5-(3-thienylmethyls…

Find On: PubMed — Wikipedia — Google

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) 2.75 6.67 -61.75 0 4 -1 74 309.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-thienylmethylsulfonyl)phenyl]acetic 2-[4-(3-thienylmethylsulfonyl)ph…

Find On: PubMed — Wikipedia — Google

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) 1.42 6.21 -52.3 0 4 -1 74 295.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-5-(3-thienylmethylsulfonyl)benzoic 3-fluoro-4-methyl-5-(3-thienylme…

Find On: PubMed — Wikipedia — Google

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) 2.81 6.08 -53.33 0 4 -1 74 313.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-3-(3-thienylmethylsulfonyl)benzoic 5-chloro-2-methoxy-3-(3-thienylm…

Find On: PubMed — Wikipedia — Google

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) 3.01 6.41 -45.96 0 5 -1 84 345.805 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-3-(3-thienylmethylsulfonyl)benzoic 2,5-dichloro-3-(3-thienylmethyls…

Find On: PubMed — Wikipedia — Google

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) 3.21 6.22 -44.7 0 4 -1 74 350.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-[(2-methoxyphenyl)sulfonylmethyl]thiophene 2-bromo-4-[(2-methoxyphenyl)sulf…

Find On: PubMed — Wikipedia — Google

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) 3.37 5.4 -12.63 0 3 0 43 347.255 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-(m-tolylsulfonylmethyl)thiophene 2-bromo-4-(m-tolylsulfonylmethyl…

Find On: PubMed — Wikipedia — Google

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) 3.35 6.27 -11.31 0 2 0 34 331.256 3 ↓

Parameters Provided:

ring.id = 115589
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 = 115589 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=115589&filter.purchasability=annotated

Embed Link to Results