Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_oid004l1ci87ghpcq99unveqb1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 4-amino-N-[(3R)-1,1-dioxothian-3…

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) 0.16 -3.14 -19.49 3 6 0 106 310.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 4-amino-N-[(3S)-1,1-dioxothian-3…

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) 0.16 -3.06 -17.67 3 6 0 106 310.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(3R)-1,1-dioxothian-3-yl]sul…

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) 0.93 0.29 -55.23 1 7 -1 120 352.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S)-1,1-dioxothian-3-yl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(3S)-1,1-dioxothian-3-yl]sul…

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) 0.93 0.38 -60.23 1 7 -1 120 352.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]thiophene-2-carboxylic 5-[[(3R)-1,1-dioxothian-3-yl]sul…

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) 0.56 -0.28 -55.01 1 7 -1 120 338.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S)-1,1-dioxothian-3-yl]sulfamoyl]thiophene-2-carboxylic 5-[[(3S)-1,1-dioxothian-3-yl]sul…

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) 0.56 -0.19 -59.77 1 7 -1 120 338.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]-2-thienyl]acetic 2-[5-[[(3R)-1,1-dioxothian-3-yl]…

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) 0.41 0.55 -57.24 1 7 -1 120 352.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(3S)-1,1-dioxothian-3-yl]sulfamoyl]-2-thienyl]acetic 2-[5-[[(3S)-1,1-dioxothian-3-yl]…

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) 0.41 0.64 -58.17 1 7 -1 120 352.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]thiophene-3-carboxylic 5-[[(3R)-1,1-dioxothian-3-yl]sul…

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) 0.24 -0.42 -58.03 1 7 -1 120 338.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S)-1,1-dioxothian-3-yl]sulfamoyl]thiophene-3-carboxylic 5-[[(3S)-1,1-dioxothian-3-yl]sul…

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) 0.24 -0.33 -61.4 1 7 -1 120 338.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(3R)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(3R)-1,1-diox…

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) 0.17 -2.77 -69.57 4 6 1 108 325.457 4 ↓
Hi High (pH 8-9.5) 0.17 -3.17 -19.86 3 6 0 106 324.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(3S)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(3S)-1,1-diox…

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) 0.17 -2.68 -61.87 4 6 1 108 325.457 4 ↓
Hi High (pH 8-9.5) 0.17 -3.08 -17.6 3 6 0 106 324.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(3R)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(3R)-1,1-dio…

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) -0.03 -2 -69.38 4 6 1 108 339.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(3S)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(3S)-1,1-dio…

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) -0.03 -1.92 -62.61 4 6 1 108 339.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3R)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 5-bromo-N-[(3R)-1,1-dioxothian-3…

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) 1.68 -0.26 -18.36 1 5 0 80 374.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3S)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 5-bromo-N-[(3S)-1,1-dioxothian-3…

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) 1.68 -0.18 -16.57 1 5 0 80 374.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(3R)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 3-bromo-N-[(3R)-1,1-dioxothian-3…

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) 1.48 -0.43 -18.19 1 5 0 80 374.303 3 ↓
Hi High (pH 8-9.5) 1.48 -0.54 -47.01 0 5 -1 82 373.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(3S)-1,1-dioxothian-3-yl]thiophene-2-sulfonamide 3-bromo-N-[(3S)-1,1-dioxothian-3…

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) 1.48 -0.4 -18.33 1 5 0 80 374.303 3 ↓
Hi High (pH 8-9.5) 1.48 -0.54 -47 0 5 -1 82 373.295 3 ↓

Parameters Provided:

ring.id = 288809
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 = 288809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=288809&filter.purchasability=annotated

Embed Link to Results