Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_sppp7cv2mfq4et31b24gsaa7l3, 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: 2-(2-aminophenyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(2-aminophenyl)-N-[(4R)-4,5,6,…

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) 1.75 6.23 -10.47 3 3 0 55 286.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(2-aminophenyl)-N-[(4S)-4,5,6,…

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) 1.75 6.06 -10.11 3 3 0 55 286.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(4-aminophenyl)-N-[(4R)-4,5,6,…

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) 1.39 6.14 -10.54 3 3 0 55 286.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(4-aminophenyl)-N-[(4S)-4,5,6,…

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) 1.39 5.98 -10.56 3 3 0 55 286.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(3-aminophenyl)-N-[(4R)-4,5,6,…

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) 1.36 6.13 -10.71 3 3 0 55 286.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(3-aminophenyl)-N-[(4S)-4,5,6,…

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) 1.36 5.97 -10.75 3 3 0 55 286.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2S)-2-chloro-2-phenyl-N-[(4R)-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) 2.69 8.69 -9.81 1 2 0 29 305.83 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2R)-2-chloro-2-phenyl-N-[(4R)-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) 2.69 8.69 -9.27 1 2 0 29 305.83 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2S)-2-chloro-2-phenyl-N-[(4S)-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) 2.69 8.52 -9.25 1 2 0 29 305.83 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2R)-2-chloro-2-phenyl-N-[(4S)-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) 2.69 8.52 -9.83 1 2 0 29 305.83 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2R)-2-amino-2-phenyl-N-[(4R)-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) -0.38 5.32 -9.44 3 3 0 55 286.4 3 ↓
Mid Mid (pH 6-8) -0.38 5.63 -45.97 4 3 1 57 287.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2R)-2-amino-2-phenyl-N-[(4S)-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) -0.38 5.14 -9.21 3 3 0 55 286.4 3 ↓
Mid Mid (pH 6-8) -0.38 5.47 -45.58 4 3 1 57 287.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2S)-2-amino-2-phenyl-N-[(4R)-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) -0.38 5.31 -8.35 3 3 0 55 286.4 3 ↓
Mid Mid (pH 6-8) -0.38 5.63 -44.03 4 3 1 57 287.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide (2S)-2-amino-2-phenyl-N-[(4S)-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) -0.38 5.14 -8.55 3 3 0 55 286.4 3 ↓
Mid Mid (pH 6-8) -0.38 5.47 -46.2 4 3 1 57 287.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]propanamide (2R)-2-amino-2-phenyl-N-[(4R)-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) 1.95 6.04 -9.41 3 3 0 55 300.427 3 ↓
Mid Mid (pH 6-8) 1.95 6.29 -53.8 4 3 1 57 301.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]propanamide (2S)-2-amino-2-phenyl-N-[(4R)-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) 1.95 5.98 -8.1 3 3 0 55 300.427 3 ↓
Mid Mid (pH 6-8) 1.95 6.29 -51.61 4 3 1 57 301.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]propanamide (2R)-2-amino-2-phenyl-N-[(4S)-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) 1.95 5.87 -9.21 3 3 0 55 300.427 3 ↓
Mid Mid (pH 6-8) 1.95 6.1 -51.73 4 3 1 57 301.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]propanamide (2S)-2-amino-2-phenyl-N-[(4S)-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) 1.95 5.81 -8.38 3 3 0 55 300.427 3 ↓
Mid Mid (pH 6-8) 1.95 6.1 -53.48 4 3 1 57 301.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-hydroxyphenyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(3-hydroxyphenyl)-N-[(4R)-4,5,…

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) 1.81 5.41 -11.28 2 3 0 49 287.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-hydroxyphenyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]acetamide 2-(3-hydroxyphenyl)-N-[(4S)-4,5,…

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) 1.81 5.25 -11.13 2 3 0 49 287.384 3 ↓

Parameters Provided:

ring.id = 210810
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 = 210810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=210810&filter.purchasability=annotated

Embed Link to Results