Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qpb697ateeevq4sfddcr5sdkg0, 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

35017052
35017052
35017054
35017054
35017056
35017056

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-1-(2-thienyl)propan-1-amine (1S)-N-[[(1R)-cyclohex-3-en-1-yl…

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) 4.50 9.47 -36.31 2 1 1 17 250.431 5 ↓
Hi High (pH 8-9.5) 4.50 8.25 -1.3 1 1 0 12 249.423 5 ↓

Analogs

35017054
35017054
35017056
35017056
35017051
35017051

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[[(1R)-cyclohex-3-en-1-yl…

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) 4.50 9.25 -38.08 2 1 1 17 250.431 5 ↓
Hi High (pH 8-9.5) 4.50 8.14 -1.81 1 1 0 12 249.423 5 ↓

Analogs

35017056
35017056
35017051
35017051
35017052
35017052

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methyl-1-(2-thienyl)propan-1-amine (1S)-N-[[(1S)-cyclohex-3-en-1-yl…

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) 4.50 9.46 -36.38 2 1 1 17 250.431 5 ↓
Hi High (pH 8-9.5) 4.50 8.18 -1.48 1 1 0 12 249.423 5 ↓

Analogs

35017051
35017051
35017052
35017052
35017054
35017054

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[[(1S)-cyclohex-3-en-1-yl…

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) 4.50 9.27 -37.96 2 1 1 17 250.431 5 ↓
Hi High (pH 8-9.5) 4.50 8.07 -1.95 1 1 0 12 249.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]ethanamine (1S)-1-(5-chloro-2-thienyl)-N-[[…

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) 4.56 8.76 -41.84 2 1 1 17 256.822 4 ↓
Hi High (pH 8-9.5) 4.56 7.62 -1.53 1 1 0 12 255.814 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]ethanamine (1R)-1-(5-chloro-2-thienyl)-N-[[…

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) 4.56 8.77 -41.8 2 1 1 17 256.822 4 ↓
Hi High (pH 8-9.5) 4.56 7.63 -2.05 1 1 0 12 255.814 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]ethanamine (1S)-1-(5-chloro-2-thienyl)-N-[[…

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) 4.56 8.77 -41.84 2 1 1 17 256.822 4 ↓
Hi High (pH 8-9.5) 4.56 7.55 -1.74 1 1 0 12 255.814 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]ethanamine (1R)-1-(5-chloro-2-thienyl)-N-[[…

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) 4.56 8.76 -41.86 2 1 1 17 256.822 4 ↓
Hi High (pH 8-9.5) 4.56 7.58 -2.2 1 1 0 12 255.814 4 ↓

Analogs

25081084
25081084
25081089
25081089
25081073
25081073
25081078
25081078
22502444
22502444

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 3.20 9.01 -33.67 2 3 1 43 280.413 7 ↓
Mid Mid (pH 6-8) 3.20 8.12 -4.64 1 3 0 38 279.405 7 ↓

Analogs

25081084
25081084
25081089
25081089
25081073
25081073
25081078
25081078
22502444
22502444

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 3.20 9.01 -33.93 2 3 1 43 280.413 7 ↓
Mid Mid (pH 6-8) 3.20 7.9 -3.95 1 3 0 38 279.405 7 ↓

Analogs

25081084
25081084
25081089
25081089
25081073
25081073
25081078
25081078
22502444
22502444

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 3.20 9 -33.93 2 3 1 43 280.413 7 ↓
Mid Mid (pH 6-8) 3.20 8.05 -4.88 1 3 0 38 279.405 7 ↓

Analogs

25081084
25081084
25081089
25081089
25081073
25081073
25081078
25081078
22502444
22502444

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 3.20 9.01 -33.66 2 3 1 43 280.413 7 ↓
Mid Mid (pH 6-8) 3.20 7.83 -4.1 1 3 0 38 279.405 7 ↓

Analogs

13388557
13388557
13388559
13388559
13388561
13388561
13388563
13388563
13389049
13389049

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(2-thienyl)propanoic (3R)-3-[[(1R)-cyclohex-3-en-1-yl…

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) 2.90 8.6 -45.34 2 3 0 57 265.378 6 ↓
Hi High (pH 8-9.5) 2.90 7.51 -43.6 1 3 -1 52 264.37 6 ↓

Analogs

13388557
13388557
13388559
13388559
13388561
13388561
13388563
13388563
13389049
13389049

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-cyclohex-3-en-1-yl…

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) 2.90 8.62 -45.57 2 3 0 57 265.378 6 ↓
Hi High (pH 8-9.5) 2.90 7.49 -44.38 1 3 -1 52 264.37 6 ↓

Analogs

13388557
13388557
13388559
13388559
13388561
13388561
13388563
13388563
13389049
13389049

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3-(2-thienyl)propanoic (3R)-3-[[(1S)-cyclohex-3-en-1-yl…

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) 2.90 8.62 -45.57 2 3 0 57 265.378 6 ↓
Hi High (pH 8-9.5) 2.90 7.45 -43.8 1 3 -1 52 264.37 6 ↓

Analogs

13388557
13388557
13388559
13388559
13388561
13388561
13388563
13388563
13389049
13389049

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3-(2-thienyl)propanoic (3S)-3-[[(1S)-cyclohex-3-en-1-yl…

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) 2.90 8.61 -45.35 2 3 0 57 265.378 6 ↓
Hi High (pH 8-9.5) 2.90 7.41 -44.38 1 3 -1 52 264.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-thienyl)butan-1-amine (1S)-N-[[(1R)-cyclohex-3-en-1-yl…

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) 4.82 9.75 -37.23 2 1 1 17 250.431 6 ↓
Hi High (pH 8-9.5) 4.82 8.78 -1.31 1 1 0 12 249.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-thienyl)butan-1-amine (1R)-N-[[(1R)-cyclohex-3-en-1-yl…

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) 4.82 9.74 -37.23 2 1 1 17 250.431 6 ↓
Hi High (pH 8-9.5) 4.82 8.61 -1.98 1 1 0 12 249.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(2-thienyl)butan-1-amine (1S)-N-[[(1S)-cyclohex-3-en-1-yl…

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) 4.82 9.74 -37.24 2 1 1 17 250.431 6 ↓
Hi High (pH 8-9.5) 4.82 8.71 -1.46 1 1 0 12 249.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(2-thienyl)butan-1-amine (1R)-N-[[(1S)-cyclohex-3-en-1-yl…

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) 4.82 9.75 -37.2 2 1 1 17 250.431 6 ↓
Hi High (pH 8-9.5) 4.82 8.54 -2.17 1 1 0 12 249.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1R)-cyclohex-3-en-1-yl]-2-(2-thienylmethylamino)ethanol (2R)-2-[(1R)-cyclohex-3-en-1-yl]…

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) 2.55 4.85 -37.92 3 2 1 37 238.376 5 ↓
Hi High (pH 8-9.5) 2.55 3.81 -3.86 2 2 0 32 237.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1R)-cyclohex-3-en-1-yl]-2-(2-thienylmethylamino)ethanol (2S)-2-[(1R)-cyclohex-3-en-1-yl]…

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) 2.55 4.85 -38.55 3 2 1 37 238.376 5 ↓
Hi High (pH 8-9.5) 2.55 3.54 -4.45 2 2 0 32 237.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1S)-cyclohex-3-en-1-yl]-2-(2-thienylmethylamino)ethanol (2R)-2-[(1S)-cyclohex-3-en-1-yl]…

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) 2.55 4.84 -37.8 3 2 1 37 238.376 5 ↓
Hi High (pH 8-9.5) 2.55 4.01 -3.71 2 2 0 32 237.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1S)-cyclohex-3-en-1-yl]-2-(2-thienylmethylamino)ethanol (2S)-2-[(1S)-cyclohex-3-en-1-yl]…

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) 2.55 4.85 -38.64 3 2 1 37 238.376 5 ↓
Hi High (pH 8-9.5) 2.55 3.56 -4.42 2 2 0 32 237.368 5 ↓

Parameters Provided:

ring.id = 14881
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 = 14881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14881&filter.purchasability=annotated

Embed Link to Results