Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8h12p2mf691lkk7vvhtr5btgg1, 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-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-ethyl-2-methyl-1,2,4-triaz…

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 7.18 -40.14 0 5 -1 71 264.349 4 ↓
Lo Low (pH 4.5-6) 2.14 8.19 -31.18 1 5 0 72 265.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(2-methyl-5-propyl-1,2,4-tria…

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) 2.65 7.95 -39.98 0 5 -1 71 278.376 5 ↓
Lo Low (pH 4.5-6) 2.65 8.95 -30.9 1 5 0 72 279.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-isopropyl-2-methyl-1,2,4-t…

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) 2.63 7.63 -40.29 0 5 -1 71 278.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-tert-butyl-2-methyl-1,2,4-…

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) 3.29 8.18 -40.83 0 5 -1 71 292.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-isobutyl-2-methyl-1,2,4-tr…

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) 2.89 8.22 -39.92 0 5 -1 71 292.403 5 ↓
Lo Low (pH 4.5-6) 2.89 9.76 -30.71 1 5 0 72 293.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-ethyl-1H-1,2,4-triazol-3-y…

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) 2.08 6.54 -51.32 1 5 -1 82 250.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-propyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-propyl-1H-1,2,4-triazol-3-…

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) 2.58 7.29 -51.85 1 5 -1 82 264.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-isopropyl-1H-1,2,4-triazol…

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) 2.56 6.96 -51.58 1 5 -1 82 264.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-methyl-1H-1,2,4-triazol-3-…

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) 1.50 5.93 -50.61 1 5 -1 82 236.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-1,2,4-triazol-3-ylmethyl)cycloheptanecarboxylic 1-(1H-1,2,4-triazol-3-ylmethyl)c…

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) 1.42 6.05 -48.99 1 5 -1 82 222.268 3 ↓

Parameters Provided:

ring.id = 143485
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 = 143485 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=143485&filter.purchasability=annotated

Embed Link to Results