Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_h3fb9kg6jjpcjrej8nlkptv4m2, 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: 1-[4-(bromomethyl)phenyl]adamantane 1-[4-(bromomethyl)phenyl]adamantane

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) 5.55 11.19 -1.76 0 0 0 0 305.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide N-[4-(1-adamantyl)phenyl]-2-[met…

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) 3.80 7.01 -21.34 1 5 0 66 376.522 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzaldehyde 2-ethoxy-5-(tricyclo[3.3.1.1~3,7…

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) 5.00 9.86 -5.75 0 2 0 26 284.399 4 ↓

Analogs

20894594
20894594
25043925
25043925
25043932
25043932

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-ethyl]

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) 3.32 8.71 -12.28 2 4 0 69 327.424 5 ↓

Analogs

25043925
25043925
25043932
25043932
20894591
20894591

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-ethyl]

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) 3.32 8.75 -12.87 2 4 0 69 327.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-Chlorophenyl)-1-adamantyl]methylamine [3-(4-Chlorophenyl)-1-adamantyl]…

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) 3.84 8.27 -49.77 3 1 1 28 276.831 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-N-[(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]-3-(p-tolyl)adamantane-1-carboxamide (5R,7S)-N-[(1S)-2-(dimethylamino…

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) 3.49 9.5 -9.7 1 4 0 49 368.521 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-3-(p-tolyl)-N-(2-sulfamoylethyl)adamantane-1-carboxamide (5R,7S)-3-(p-tolyl)-N-(2-sulfamo…

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) 3.03 4.34 -21.36 3 5 0 89 376.522 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-adamantane-1-carboxamide (5R,7S)-N-[2-oxo-2-(propylamino)…

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) 4.28 7.95 -8.8 2 4 0 58 354.494 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.57 7.06 -6.85 3 6 0 79 377.872 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-dimethylaminoethyl)acetamide 2-[[4-(1-adamantyl)phenyl]-methy…

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) 3.96 8.59 -47.99 2 6 1 71 434.626 8 ↓

Analogs

14231381
14231381

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] [2-[[(1R)-1-cyano-1,2-dimethyl-p…

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) 4.67 12.2 -14.42 1 5 0 79 408.542 7 ↓

Analogs

14231378
14231378

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] [2-[[(1S)-1-cyano-1,2-dimethyl-p…

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) 4.67 12.2 -14.79 1 5 0 79 408.542 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-{[3-(4-methylphenyl)-1-adamantyl]methyl}amine N-methyl-N-{[3-(4-methylphenyl)-…

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) 4.60 0.89 -44 2 1 1 16 270.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K70768900-001-01-1 BRD-K70768900-001-01-1

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) 3.93 6.41 -12.26 1 5 0 66 376.522 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-N-methoxy-N-methyl-3-(p-tolyl)adamantane-1-carboxamide (5R,7S)-N-methoxy-N-methyl-3-(p-…

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) 4.12 10.69 -12.05 0 3 0 30 313.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-tert-butylphenyl)adamantane 1-(4-tert-butylphenyl)adamantane

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) 6.55 12.12 -1.01 0 0 0 0 268.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)adamantane 1-(3-bromophenyl)adamantane

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) 5.63 10.41 -1.39 0 0 0 0 291.232 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-Adamantyl)-2-hydroxy-5-methylbenzaldehyde 3-(1-Adamantyl)-2-hydroxy-5-meth…

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) 4.72 7.88 -5.93 1 2 0 37 270.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-Bromophenyl)adamantane 1-(4-Bromophenyl)adamantane

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) 5.65 10.42 -1.21 0 0 0 0 291.232 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dichlorophenyl)adamantane 1-(3,4-dichlorophenyl)adamantane

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) 6.13 10.77 -1.88 0 0 0 0 281.226 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromo-3,5-dichloro-phenyl)adamantane 1-(4-bromo-3,5-dichloro-phenyl)a…

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) 6.87 11.32 -1.58 0 0 0 0 360.122 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)adamantane 1-(4-chlorophenyl)adamantane

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) 5.52 10.32 -1.18 0 0 0 0 246.781 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,4E,6E)-7-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-methyl-octa-2,4,6-trienoic (2Z,4E,6E)-7-[3-(1-adamantyl)-4-…

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) 6.20 11.39 -56.22 1 3 -1 60 377.504 5 ↓
Lo Low (pH 4.5-6) 6.20 10.84 -8.1 2 3 0 58 378.512 5 ↓

Parameters Provided:

ring.id = 1779
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 = 1779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1779&filter.purchasability=annotated

Embed Link to Results