Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_v2cc2khiqd3ft0fooo92hacjh7, 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: 2-[1-(4-nitrophenyl)aminoethylidene]indane-1,3-dione 2-[1-(4-nitrophenyl)aminoethylid…

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) 3.69 8.83 -35.91 0 6 -1 98 307.285 3 ↓

Analogs

5287801
5287801

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]amino}benzenecarboxylic acid 2-{[(1,3-dioxo-1,3-dihydro-2H-in…

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) 3.33 8.72 -132.08 0 5 -2 93 291.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]amino}-5-methylbenzenecarboxylic acid 2-{[(1,3-dioxo-1,3-dihydro-2H-in…

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) 3.75 9.39 -133.51 0 5 -2 93 305.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(((1,3-dioxoindan-2-ylidene)methyl)amino)benzoic acid 3-(((1,3-dioxoindan-2-ylidene)me…

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) 3.17 8.31 -109.46 0 5 -2 93 291.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(((1,3-dioxoindan-2-ylidene)methyl)amino)benzoic acid 4-(((1,3-dioxoindan-2-ylidene)me…

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) 3.19 8.27 -100.19 0 5 -2 93 291.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(((1,3-dioxoindan-2-ylidene)methyl)amino)-6-methylbenzoic acid 2-(((1,3-dioxoindan-2-ylidene)me…

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 9.11 -138.38 0 5 -2 93 305.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(2-hydroxy-5-nitro-anilino)ethylidene]indane-1,3-dione 2-[1-(2-hydroxy-5-nitro-anilino)…

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) 3.40 6.05 -42.53 1 7 -1 119 323.284 3 ↓
Mid Mid (pH 6-8) 3.40 6.82 -110.86 0 7 -2 121 322.276 3 ↓
Lo Low (pH 4.5-6) 2.88 6.47 -13.23 2 7 0 112 324.292 3 ↓

Parameters Provided:

ring.id = 247963
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 = 247963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=247963&filter.purchasability=annotated

Embed Link to Results