Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mtvgvr5g559qofbqk3j6nb3nl6, 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: (R)-cyclohexen-1-yl-(2-methoxy-5-methyl-phenyl)methanamine (R)-cyclohexen-1-yl-(2-methoxy-5…

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) 1.97 6.56 -41.57 3 2 1 37 232.347 3 ↓
Hi High (pH 8-9.5) 1.97 6.23 -3.74 2 2 0 35 231.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclohexen-1-yl-(2-methoxy-5-methyl-phenyl)methanamine (S)-cyclohexen-1-yl-(2-methoxy-5…

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) 1.97 6.44 -41.75 3 2 1 37 232.347 3 ↓
Hi High (pH 8-9.5) 1.97 6.12 -3.69 2 2 0 35 231.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclohexen-1-yl-1-(2-methoxy-5-methyl-phenyl)-N-methyl-methanamine (1R)-1-cyclohexen-1-yl-1-(2-meth…

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) 4.22 8.21 -35.82 2 2 1 26 246.374 4 ↓
Hi High (pH 8-9.5) 4.22 7.51 -3.34 1 2 0 21 245.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclohexen-1-yl-1-(2-methoxy-5-methyl-phenyl)-N-methyl-methanamine (1S)-1-cyclohexen-1-yl-1-(2-meth…

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) 4.22 8.31 -36.17 2 2 1 26 246.374 4 ↓
Hi High (pH 8-9.5) 4.22 7.15 -3.37 1 2 0 21 245.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexen-1-yl-(2-methoxy-5-methyl-phenyl)methyl]ethanamine N-[(R)-cyclohexen-1-yl-(2-methox…

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) 4.60 9.03 -33.41 2 2 1 26 260.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexen-1-yl-(2-methoxy-5-methyl-phenyl)methyl]ethanamine N-[(S)-cyclohexen-1-yl-(2-methox…

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) 4.60 9.14 -33.91 2 2 1 26 260.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclohexen-1-yl-(2-methoxy-5-methyl-phenyl)methanol (R)-cyclohexen-1-yl-(2-methoxy-5…

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) 3.67 6.19 -4.94 1 2 0 29 232.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclohexen-1-yl-(2-methoxy-5-methyl-phenyl)methanol (S)-cyclohexen-1-yl-(2-methoxy-5…

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) 3.67 6.02 -4.89 1 2 0 29 232.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclohexen-1-yl-(5-fluoro-2-methyl-phenyl)methanamine (R)-cyclohexen-1-yl-(5-fluoro-2-…

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 6.93 -44.85 3 1 1 28 220.311 2 ↓
Hi High (pH 8-9.5) 2.08 6.61 -3.05 2 1 0 26 219.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclohexen-1-yl-(5-fluoro-2-methyl-phenyl)methanamine (S)-cyclohexen-1-yl-(5-fluoro-2-…

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 6.93 -45.09 3 1 1 28 220.311 2 ↓
Hi High (pH 8-9.5) 2.08 6.6 -2.76 2 1 0 26 219.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclohexen-1-yl-1-(5-fluoro-2-methyl-phenyl)-N-methyl-methanamine (1R)-1-cyclohexen-1-yl-1-(5-fluo…

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) 4.33 8.61 -38.87 2 1 1 17 234.338 3 ↓
Hi High (pH 8-9.5) 4.33 7.91 -2.86 1 1 0 12 233.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclohexen-1-yl-1-(5-fluoro-2-methyl-phenyl)-N-methyl-methanamine (1S)-1-cyclohexen-1-yl-1-(5-fluo…

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) 4.33 8.81 -39.17 2 1 1 17 234.338 3 ↓
Hi High (pH 8-9.5) 4.33 7.7 -2.51 1 1 0 12 233.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexen-1-yl-(5-fluoro-2-methyl-phenyl)methyl]ethanamine N-[(R)-cyclohexen-1-yl-(5-fluoro…

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) 4.70 9.43 -36.95 2 1 1 17 248.365 4 ↓
Hi High (pH 8-9.5) 4.70 8.69 -2.24 1 1 0 12 247.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexen-1-yl-(5-fluoro-2-methyl-phenyl)methyl]ethanamine N-[(S)-cyclohexen-1-yl-(5-fluoro…

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) 4.70 9.63 -37.44 2 1 1 17 248.365 4 ↓
Hi High (pH 8-9.5) 4.70 8.78 -2.66 1 1 0 12 247.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclohexen-1-yl-(5-fluoro-2-methyl-phenyl)methanol (R)-cyclohexen-1-yl-(5-fluoro-2-…

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) 3.77 6.6 -3.79 1 1 0 20 220.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclohexen-1-yl-(5-fluoro-2-methyl-phenyl)methanol (S)-cyclohexen-1-yl-(5-fluoro-2-…

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) 3.77 6.59 -3.82 1 1 0 20 220.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclohexen-1-yl-(3,4,5-trifluorophenyl)methanamine (R)-cyclohexen-1-yl-(3,4,5-trifl…

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) 1.88 6.58 -56.13 3 1 1 28 242.264 2 ↓
Hi High (pH 8-9.5) 1.88 6.26 -4.31 2 1 0 26 241.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclohexen-1-yl-(3,4,5-trifluorophenyl)methanamine (S)-cyclohexen-1-yl-(3,4,5-trifl…

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) 1.88 6.48 -56.07 3 1 1 28 242.264 2 ↓
Hi High (pH 8-9.5) 1.88 6.14 -4.31 2 1 0 26 241.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclohexen-1-yl-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (1R)-1-cyclohexen-1-yl-N-methyl-…

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) 4.13 8.33 -49.25 2 1 1 17 256.291 3 ↓
Hi High (pH 8-9.5) 4.13 7.41 -3.4 1 1 0 12 255.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclohexen-1-yl-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (1S)-1-cyclohexen-1-yl-N-methyl-…

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) 4.13 8.27 -49.38 2 1 1 17 256.291 3 ↓
Hi High (pH 8-9.5) 4.13 7.27 -3.51 1 1 0 12 255.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexen-1-yl-(3,4,5-trifluorophenyl)methyl]ethanamine N-[(R)-cyclohexen-1-yl-(3,4,5-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) 4.51 9.18 -47.5 2 1 1 17 270.318 4 ↓
Hi High (pH 8-9.5) 4.51 8.32 -3.24 1 1 0 12 269.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexen-1-yl-(3,4,5-trifluorophenyl)methyl]ethanamine N-[(S)-cyclohexen-1-yl-(3,4,5-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) 4.51 9.12 -47.67 2 1 1 17 270.318 4 ↓
Hi High (pH 8-9.5) 4.51 8.19 -3.42 1 1 0 12 269.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclohexen-1-yl-(3,4,5-trifluorophenyl)methanol (R)-cyclohexen-1-yl-(3,4,5-trifl…

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 6.21 -5.38 1 1 0 20 242.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclohexen-1-yl-(3,4,5-trifluorophenyl)methanol (S)-cyclohexen-1-yl-(3,4,5-trifl…

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 6.1 -5.29 1 1 0 20 242.24 2 ↓

Parameters Provided:

ring.id = 37574
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 = 37574 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=37574&filter.purchasability=annotated

Embed Link to Results