Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_fouekuglups1tv4mlp3prfabc6, 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: (2R,3S)-2,3-dibromo-4-[(2R,5R)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-pipera (2R,3S)-2,3-dibromo-4-[(2R,5R)-5…

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) 2.88 6.66 -48.53 3 8 -1 130 575.274 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2,3-dibromo-4-[(2S,5R)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-pipera (2R,3S)-2,3-dibromo-4-[(2S,5R)-5…

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) 2.88 6.52 -49.11 3 8 -1 130 575.274 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2,3-dibromo-4-[(2R,5S)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-pipera (2R,3S)-2,3-dibromo-4-[(2R,5S)-5…

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) 2.88 6.34 -43.8 3 8 -1 130 575.274 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2,3-dibromo-4-[(2S,5S)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-pipera (2R,3S)-2,3-dibromo-4-[(2S,5S)-5…

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) 2.88 6.6 -48.83 3 8 -1 130 575.274 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5R)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-piperazin-1-yl]acetic 2-[(2R,5R)-5-(cyclohexylmethyl)-…

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) 0.52 4.19 -51.01 3 8 -1 130 389.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5R)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-piperazin-1-yl]acetic 2-[(2S,5R)-5-(cyclohexylmethyl)-…

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) 0.52 4.34 -54.8 3 8 -1 130 389.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5S)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-piperazin-1-yl]acetic 2-[(2R,5S)-5-(cyclohexylmethyl)-…

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) 0.52 4.07 -51.1 3 8 -1 130 389.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5S)-5-(cyclohexylmethyl)-2-[(3,4-dihydroxyphenyl)methyl]-3,6-dioxo-piperazin-1-yl]acetic 2-[(2S,5S)-5-(cyclohexylmethyl)-…

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) 0.52 4.37 -55 3 8 -1 130 389.428 6 ↓

Parameters Provided:

ring.id = 195857
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 = 195857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=195857&filter.purchasability=annotated

Embed Link to Results