Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_tfrkrqc0ujrcculhkuqb82imh2, 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-[(2S,6R)-2,6-dimethylcyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(2S,6R)-2,6-dimethylcycl…

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) 2.36 7.87 -32.89 2 3 1 34 262.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2S,6S)-2,6-dimethylcyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(2S,6S)-2,6-dimethylcycl…

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) 2.36 7.73 -35.44 2 3 1 34 262.421 2 ↓

Analogs

24995212
24995212
24995210
24995210
24995218
24995218

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2R,6R)-2,6-dimethylcyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(2R,6R)-2,6-dimethylcycl…

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) 2.36 7.93 -35.94 2 3 1 34 262.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.20 7.95 -43.05 2 3 1 34 302.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.20 6.99 -46.01 2 3 1 34 302.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1R,2S)-2-(trif…

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) 2.67 8.15 -36.37 2 3 1 34 302.364 3 ↓
Hi High (pH 8-9.5) 2.67 7.39 -5.98 1 3 0 30 301.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1R,2S)-2-(trif…

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) 2.67 7.92 -35.94 2 3 1 34 302.364 3 ↓
Hi High (pH 8-9.5) 2.67 7.35 -6.63 1 3 0 30 301.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1S,2S)-2-(trif…

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) 2.67 7.14 -35.57 2 3 1 34 302.364 3 ↓
Hi High (pH 8-9.5) 2.67 7.3 -8.88 1 3 0 30 301.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1S,2S)-2-(trif…

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) 2.67 7.96 -38 2 3 1 34 302.364 3 ↓
Hi High (pH 8-9.5) 2.67 7.39 -6.66 1 3 0 30 301.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,2S)-2-methoxycyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R,2S)-2-methoxycyclohe…

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) 1.35 6.07 -37.38 2 4 1 44 264.393 3 ↓
Hi High (pH 8-9.5) 1.35 5.04 -7.03 1 4 0 39 263.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R,2S)-2-methoxycyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1R,2S)-2-methoxycyclohe…

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) 1.35 5.3 -39.2 2 4 1 44 264.393 3 ↓
Hi High (pH 8-9.5) 1.35 4.82 -5.85 1 4 0 39 263.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S,2S)-2-methoxycyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1S,2S)-2-methoxycyclohe…

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) 1.35 5.19 -35.31 2 4 1 44 264.393 3 ↓
Hi High (pH 8-9.5) 1.35 4.66 -7.9 1 4 0 39 263.385 3 ↓

Analogs

42814907
42814907
42814912
42814912
42814917
42814917
42814922
42814922

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S,2S)-2-methoxycyclohexyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1S,2S)-2-methoxycyclohe…

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) 1.35 5.96 -35.95 2 4 1 44 264.393 3 ↓
Hi High (pH 8-9.5) 1.35 4.88 -6.37 1 4 0 39 263.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.72 2.8 -41.24 3 5 1 64 294.419 5 ↓
Hi High (pH 8-9.5) 0.72 2.33 -6.24 2 5 0 59 293.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.72 2.71 -37.51 3 5 1 64 294.419 5 ↓
Hi High (pH 8-9.5) 0.72 2.29 -6.35 2 5 0 59 293.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.72 3.45 -37.91 3 5 1 64 294.419 5 ↓
Hi High (pH 8-9.5) 0.72 2.38 -6.79 2 5 0 59 293.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.72 3.58 -39.29 3 5 1 64 294.419 5 ↓
Hi High (pH 8-9.5) 0.72 2.54 -6.56 2 5 0 59 293.411 5 ↓

Parameters Provided:

ring.id = 141720
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 = 141720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=141720&filter.purchasability=annotated

Embed Link to Results