Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6272shqab8iv8cc35h69128t57, 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: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[[(1S,2S,4R)-1,3,3-trimethylnorbor N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 7.26 12.93 -41.29 3 4 1 59 432.698 4 ↓
Hi High (pH 8-9.5) 7.08 11.72 -32.24 2 4 0 65 431.69 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[[(1R,2S,4S)-1,3,3-trimethylnorbor N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 7.26 12.93 -42.33 3 4 1 59 432.698 4 ↓
Hi High (pH 8-9.5) 7.08 11.71 -32.48 2 4 0 65 431.69 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocy 2-[(5S)-2-(N'-cyclododecylideneh…

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) 8.67 15.2 -51.89 1 7 -1 98 572.865 5 ↓
Lo Low (pH 4.5-6) 8.67 15.28 -19.98 2 7 0 96 573.873 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocy 2-[(5R)-2-(N'-cyclododecylideneh…

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) 8.67 15.2 -51.51 1 7 -1 98 572.865 5 ↓
Lo Low (pH 4.5-6) 8.67 15.28 -19.42 2 7 0 96 573.873 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5S)-2-[(N'E)-N'-[(2R)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 8.79 15.74 -52.06 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.82 -19.65 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5S)-2-[(N'E)-N'-[(2S)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 8.79 15.66 -52.1 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.65 -19.68 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5R)-2-[(N'E)-N'-[(2R)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 8.79 15.74 -51.78 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.82 -19.22 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5R)-2-[(N'E)-N'-[(2S)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 8.79 15.66 -51.84 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.64 -19.28 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N'-carbonocyanidoylhydrazino)-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)acet 2-(N'-carbonocyanidoylhydrazino)…

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) 3.46 5.36 -15.3 3 7 0 107 363.487 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] [(1R,2R,5R)-2-isopropyl-5-methyl…

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) 9.18 17 -19.44 2 6 0 80 553.813 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] [(1R,2R,5S)-2-isopropyl-5-methyl…

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) 9.18 17.04 -19.65 2 6 0 80 553.813 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] [(1R,2S,5R)-2-isopropyl-5-methyl…

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) 9.18 16.93 -20.2 2 6 0 80 553.813 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] [(1R,2S,5S)-2-isopropyl-5-methyl…

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) 9.18 16.73 -20.02 2 6 0 80 553.813 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-ylamino)-2-oxo-ethyl]amino]-N-(1,3-d 2-[[2-(4,5,6,7,8,9,10,11,12,13-d…

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) 6.62 11.88 -32.78 3 9 0 122 559.692 6 ↓
Hi High (pH 8-9.5) 6.69 10.74 -89.05 2 9 -1 129 558.684 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[bis(2-naphthyl)amino]anilino]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)a 2-[4-[bis(2-naphthyl)amino]anili…

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) 9.64 22.04 -16.13 2 5 0 57 638.881 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[N'-[2-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8 2-[N'-[2-[(1R,2R,4aR,8aR)-2-hydr…

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) 7.57 10.33 -23.54 4 7 0 103 560.849 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[N'-[2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8 2-[N'-[2-[(1R,2R,4aR,8aS)-2-hydr…

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) 7.57 10.35 -23.36 4 7 0 103 560.849 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[N'-[2-[(1R,2R,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8 2-[N'-[2-[(1R,2R,4aS,8aR)-2-hydr…

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) 7.57 11.64 -22.94 4 7 0 103 560.849 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[N'-[2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8 2-[N'-[2-[(1R,2R,4aS,8aS)-2-hydr…

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) 7.57 11.63 -23.49 4 7 0 103 560.849 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(Z)-hex-3-enyl] [(Z)-hex-3-enyl]

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) 7.23 14.76 -36.16 3 9 0 119 570.756 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-ethylhexyl] [(2R)-2-ethylhexyl]

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) 8.56 16.33 -35.6 3 9 0 119 600.826 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethylhexyl] [(2S)-2-ethylhexyl]

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) 8.56 16.2 -36.05 3 9 0 119 600.826 15 ↓

Parameters Provided:

ring.id = 60756
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 = 60756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=60756&filter.purchasability=annotated

Embed Link to Results