Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8rlt1akqfec52dipqf6rfu9q63, 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: (4R)-N-[(1S)-1-cyclohexylpropyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1S)-1-cyclohexylpropyl]…

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) 3.13 8.08 -36.53 2 3 1 34 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylpropyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R)-1-cyclohexylpropyl]…

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) 3.13 8.21 -36.89 2 3 1 34 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylpropyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1S)-1-cyclohexylpropyl]…

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) 3.13 8.6 -36.77 2 3 1 34 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylpropyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1R)-1-cyclohexylpropyl]…

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) 3.13 8.52 -37.35 2 3 1 34 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1S)-1-cyclohexylethyl]-…

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) 2.59 7.31 -40.15 2 3 1 34 262.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R)-1-cyclohexylethyl]-…

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) 2.59 8.15 -38.18 2 3 1 34 262.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1S)-1-cyclohexylethyl]-…

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) 2.59 8.13 -38.2 2 3 1 34 262.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1R)-1-cyclohexylethyl]-…

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) 2.59 7.25 -40.25 2 3 1 34 262.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1S)-1-cyclohexylethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1S)-1-cyclohexyleth…

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) 1.96 4.82 -42.36 3 4 1 55 292.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1R)-1-cyclohexylethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1R)-1-cyclohexyleth…

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) 1.96 5.66 -40.18 3 4 1 55 292.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1S)-1-cyclohexylethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1S)-1-cyclohexyleth…

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) 1.96 5.65 -40.41 3 4 1 55 292.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1R)-1-cyclohexylethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1R)-1-cyclohexyleth…

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) 1.96 4.84 -41.6 3 4 1 55 292.447 5 ↓

Parameters Provided:

ring.id = 221085
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 = 221085 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=221085&filter.purchasability=annotated

Embed Link to Results