Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rp1t0441ucqu25gsusf28e1am3, 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

48442895
48442895
14517041
14517041
10083437
10083437
14517368
14517368
14517359
14517359

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-methylcyclopropyl)ethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1S)-1-(1-methylcyclopropyl)e…

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) 3.09 6.28 -9.69 1 5 0 56 257.341 4 ↓

Analogs

48442895
48442895
14517041
14517041
10083437
10083437
14517368
14517368
14517359
14517359

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1R)-1-(1-methylcyclopropyl)e…

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) 3.09 6.31 -9.79 1 5 0 56 257.341 4 ↓

Analogs

48442895
48442895
14517041
14517041
10083437
10083437
14517368
14517368
14517359
14517359

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1S)-1-cyclopropylethyl]-3-(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) 3.14 5.56 -9.89 1 5 0 56 243.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1R)-1-cyclopropylethyl]-3-(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) 3.14 5.68 -9.95 1 5 0 56 243.314 4 ↓

Analogs

48442895
48442895
14517041
14517041
10083437
10083437
14517074
14517074
14517362
14517362

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline N-(cyclopropylmethyl)-3-(1-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) 2.14 5.07 -10.01 1 5 0 56 229.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-methylcyclopropyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1S)-1-(1-methylcyclopropyl)e…

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) 3.02 5.26 -41.03 1 5 -1 65 242.306 4 ↓

Analogs

20496046
20496046
20495980
20495980

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1R)-1-(1-methylcyclopropyl)e…

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) 3.02 5.26 -41.07 1 5 -1 65 242.306 4 ↓

Analogs

20496046
20496046
20495980
20495980

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1S)-1-cyclopropylethyl]-3-(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) 3.07 4.66 -41.14 1 5 -1 65 228.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1R)-1-cyclopropylethyl]-3-(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) 3.07 4.66 -41.16 1 5 -1 65 228.279 4 ↓

Analogs

20496046
20496046
20495980
20495980
20495695
20495695
20495768
20495768
20495797
20495797

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-3-(1H-tetrazol-5-yl)aniline N-(cyclopropylmethyl)-3-(1H-tetr…

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) 2.07 4.05 -41.05 1 5 -1 65 214.252 4 ↓

Parameters Provided:

ring.id = 127535
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 = 127535 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=127535&filter.purchasability=annotated

Embed Link to Results