Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_gc7s2dbkrnqjk38tju1vqlrcd6, 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: (7S)-5-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (7S)-5-methoxy-8,9,10,11-tetrahy…

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) 1.86 6.23 -46.23 3 2 1 37 242.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (7R)-5-methoxy-8,9,10,11-tetrahy…

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) 1.86 6.27 -48.64 3 2 1 37 242.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5-methoxy-N-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (7R)-5-methoxy-N-methyl-8,9,10,1…

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) 3.21 7.88 -40.5 2 2 1 26 256.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5-methoxy-N-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (7S)-5-methoxy-N-methyl-8,9,10,1…

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) 3.21 7.89 -40.4 2 2 1 26 256.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N-ethyl-5-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (7R)-N-ethyl-5-methoxy-8,9,10,11…

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) 3.58 8.71 -38.87 2 2 1 26 270.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N-ethyl-5-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (7S)-N-ethyl-5-methoxy-8,9,10,11…

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) 3.58 8.72 -38.82 2 2 1 26 270.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-ol (7S)-5-methoxy-8,9,10,11-tetrahy…

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) 3.56 5.86 -6.8 1 2 0 29 242.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-ol (7R)-5-methoxy-8,9,10,11-tetrahy…

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) 3.56 5.79 -7.28 1 2 0 29 242.318 1 ↓

Parameters Provided:

ring.id = 151528
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 = 151528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=151528&filter.purchasability=annotated

Embed Link to Results