Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_21gfudu91dqua000cvtp1jjvv6, 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

19865070
19865070
19865073
19865073
19865075
19865075

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(8S,9Z)-9-hydroxyimino-5,6,7,8-tetrahydrobenzo[7]annulen-8-yl]-2-methyl-isoindolin-1-one (3S)-3-[(8S,9Z)-9-hydroxyimino-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) 3.51 8.06 -17.02 1 4 0 53 320.392 1 ↓

Analogs

19865073
19865073
19865075
19865075
19865067
19865067

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(8S,9Z)-9-hydroxyimino-5,6,7,8-tetrahydrobenzo[7]annulen-8-yl]-2-methyl-isoindolin-1-one (3R)-3-[(8S,9Z)-9-hydroxyimino-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) 3.51 8.56 -16.5 1 4 0 53 320.392 1 ↓

Analogs

19865075
19865075
19865067
19865067
19865070
19865070

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(8R,9Z)-9-hydroxyimino-5,6,7,8-tetrahydrobenzo[7]annulen-8-yl]-2-methyl-isoindolin-1-one (3S)-3-[(8R,9Z)-9-hydroxyimino-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) 3.51 7.59 -15.19 1 4 0 53 320.392 1 ↓

Analogs

19865067
19865067
19865070
19865070

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(8R,9Z)-9-hydroxyimino-5,6,7,8-tetrahydrobenzo[7]annulen-8-yl]-2-methyl-isoindolin-1-one (3R)-3-[(8R,9Z)-9-hydroxyimino-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) 3.51 8.06 -16.98 1 4 0 53 320.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-methoxy-1-methyl-ethyl]-3-[(Z)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ylideneamino]thiourea 1-[(1S)-2-methoxy-1-methyl-ethyl…

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) 3.40 8.18 -8.96 2 4 0 46 305.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(Z)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ylideneamino]thiourea 1-[(1R)-2-methoxy-1-methyl-ethyl…

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) 3.40 8.18 -8.94 2 4 0 46 305.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzenesulfonamide 4-bromo-N-(6,7,8,9-tetrahydroben…

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) 4.61 7.42 -8.61 1 4 0 59 393.306 3 ↓
Mid Mid (pH 6-8) 4.61 7.68 -46.42 0 4 -1 61 392.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]oxyacetic 2-[(E)-6,7,8,9-tetrahydrobenzo[7…

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) 2.34 8.25 -50.61 0 4 -1 62 232.259 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenylBLAH phenylBLAH

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) 6.02 15.35 -7.3 1 3 0 31 364.472 1 ↓
Mid Mid (pH 6-8) 6.02 14.88 -13.09 0 3 0 30 363.464 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenylBLAH phenylBLAH

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) 6.02 15.61 -8.5 1 3 0 31 364.472 1 ↓
Mid Mid (pH 6-8) 6.02 15.14 -15.65 0 3 0 30 363.464 1 ↓

Analogs

26177702
26177702
26177707
26177707

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-ethoxy-methoxyimino-methyl-BLAHdiol (E)-ethoxy-methoxyimino-methyl-B…

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) 3.33 5.56 -9.28 2 5 0 71 373.493 3 ↓

Analogs

26177702
26177702
26177707
26177707

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-ethoxy-methoxyimino-methyl-BLAHdiol (E)-ethoxy-methoxyimino-methyl-B…

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) 3.33 5.26 -9.31 2 5 0 71 373.493 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A14275336-001-01-2 BRD-A14275336-001-01-2

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) 3.98 13.42 -11.16 0 4 0 43 314.392 1 ↓
Mid Mid (pH 6-8) 3.64 13.77 -7.88 1 4 0 43 314.392 1 ↓
Lo Low (pH 4.5-6) 3.98 13.94 -10.72 1 4 0 44 315.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A14275336-001-01-2 BRD-A14275336-001-01-2

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) 3.98 12.95 -12.06 0 4 0 43 314.392 1 ↓
Mid Mid (pH 6-8) 3.64 13.77 -7.41 1 4 0 43 314.392 1 ↓
Lo Low (pH 4.5-6) 3.98 13.47 -11.1 1 4 0 44 315.4 1 ↓

Parameters Provided:

ring.id = 53274
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 = 53274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=53274&filter.purchasability=annotated

Embed Link to Results