Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_v6ie0b0da8ps44tqmbl08v4cn2, 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: (3S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (3S)-N-[4-[(3-chlorophenyl)sulfa…

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) 5.04 9.1 -59.44 1 8 -1 115 575.132 10 ↓
Mid Mid (pH 6-8) 5.04 9.09 -25.41 2 8 0 113 576.14 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (3R)-N-[4-[(3-chlorophenyl)sulfa…

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) 5.04 9.14 -54.46 1 8 -1 115 575.132 10 ↓
Mid Mid (pH 6-8) 5.04 9.13 -21.15 2 8 0 113 576.14 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-phenylpropylsulfonyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperidine-3-carbo (3S)-1-(3-phenylpropylsulfonyl)-…

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) 5.25 9.59 -58.28 1 8 -1 115 608.684 11 ↓
Mid Mid (pH 6-8) 5.25 9.58 -26.21 2 8 0 113 609.692 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-phenylpropylsulfonyl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]piperidine-3-carbo (3R)-1-(3-phenylpropylsulfonyl)-…

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) 5.25 9.63 -53.3 1 8 -1 115 608.684 11 ↓
Mid Mid (pH 6-8) 5.25 9.62 -21.68 2 8 0 113 609.692 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide (3S)-1-(3-phenylpropylsulfonyl)-…

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) 4.38 8.57 -25.52 2 8 0 113 541.695 10 ↓
Hi High (pH 8-9.5) 4.38 8.58 -63.74 1 8 -1 115 540.687 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide (3R)-1-(3-phenylpropylsulfonyl)-…

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) 4.38 8.61 -21.51 2 8 0 113 541.695 10 ↓
Hi High (pH 8-9.5) 4.38 8.62 -58.91 1 8 -1 115 540.687 10 ↓

Parameters Provided:

ring.id = 196772
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 = 196772 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=196772&filter.purchasability=annotated

Embed Link to Results