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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990735
11990735
59635817
59635817
59635818
59635818
59824420
59824420
2463726
2463726

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxy-3-methoxy-phenyl)BLAHone (4-hydroxy-3-methoxy-phenyl)BLAHone

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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 -3.46 -9.62 2 4 0 62 361.488 2 ↓

Analogs

59635817
59635817
59635818
59635818
59824420
59824420
11990734
11990734
2463726
2463726

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxy-3-methoxy-phenyl)BLAHone (4-hydroxy-3-methoxy-phenyl)BLAHone

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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 5.63 -9.36 2 4 0 62 361.488 2 ↓
Hi High (pH 8-9.5) 4.13 3.6 -49.77 1 4 -1 65 360.48 2 ↓

Analogs

11990741
11990741
11990742
11990742
11990743
11990743
1020008
1020008

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-bromophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one 9-(4-bromophenyl)-3,7-dithia-5-a…

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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) 5.14 -2.66 -7.21 1 2 0 33 394.359 1 ↓

Analogs

11990742
11990742
11990743
11990743
11990740
11990740
1020008
1020008

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-bromophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one 9-(4-bromophenyl)-3,7-dithia-5-a…

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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) 5.14 -2.82 -7.62 1 2 0 33 394.359 1 ↓

Analogs

11990743
11990743
11990740
11990740
11990741
11990741
1020008
1020008

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-bromophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one 9-(4-bromophenyl)-3,7-dithia-5-a…

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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) 5.14 -2.63 -6.44 1 2 0 33 394.359 1 ↓

Analogs

11990740
11990740
11990741
11990741
11990742
11990742
1020008
1020008

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-bromophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-en-6-one 9-(4-bromophenyl)-3,7-dithia-5-a…

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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) 5.14 -2.76 -6.39 1 2 0 33 394.359 1 ↓

Analogs

11990745
11990745
11990746
11990746
11990747
11990747

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2-chlorophenyl)methoxy]-5-nitro-phenyl]BLAHone [2-[(2-chlorophenyl)methoxy]-5-n…

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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) 6.50 -1.23 -12.74 1 6 0 88 501.029 5 ↓

Analogs

11990746
11990746
11990747
11990747
11990744
11990744

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2-chlorophenyl)methoxy]-5-nitro-phenyl]BLAHone [2-[(2-chlorophenyl)methoxy]-5-n…

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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) 6.50 -1.3 -12.63 1 6 0 88 501.029 5 ↓

Analogs

11990747
11990747
11990744
11990744
11990745
11990745

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2-chlorophenyl)methoxy]-5-nitro-phenyl]BLAHone [2-[(2-chlorophenyl)methoxy]-5-n…

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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) 6.50 -1.07 -11.89 1 6 0 88 501.029 5 ↓

Analogs

11990744
11990744
11990745
11990745
11990746
11990746

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2-chlorophenyl)methoxy]-5-nitro-phenyl]BLAHone [2-[(2-chlorophenyl)methoxy]-5-n…

Find On: PubMed — Wikipedia — Google

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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) 6.50 -1.24 -11.69 1 6 0 88 501.029 5 ↓

Analogs

11990751
11990751
11990752
11990752
11990753
11990753
1271104
1271104

Draw Identity 99% 90% 80% 70%

Popular Name: (2-hydroxy-3-methoxy-phenyl)BLAHone (2-hydroxy-3-methoxy-phenyl)BLAHone

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) 3.88 -3.5 -9.49 2 4 0 62 361.488 2 ↓

Analogs

11990752
11990752
11990753
11990753
11990750
11990750
1271104
1271104

Draw Identity 99% 90% 80% 70%

Popular Name: (2-hydroxy-3-methoxy-phenyl)BLAHone (2-hydroxy-3-methoxy-phenyl)BLAHone

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) 3.88 -3.46 -9.46 2 4 0 62 361.488 2 ↓

Analogs

11990753
11990753
11990750
11990750
11990751
11990751
1271104
1271104

Draw Identity 99% 90% 80% 70%

Popular Name: (2-hydroxy-3-methoxy-phenyl)BLAHone (2-hydroxy-3-methoxy-phenyl)BLAHone

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) 3.88 -3.35 -9.26 2 4 0 62 361.488 2 ↓

Analogs

11990750
11990750
11990751
11990751
11990752
11990752
1271104
1271104

Draw Identity 99% 90% 80% 70%

Popular Name: (2-hydroxy-3-methoxy-phenyl)BLAHone (2-hydroxy-3-methoxy-phenyl)BLAHone

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) 3.88 -3.09 -10.27 2 4 0 62 361.488 2 ↓

Parameters Provided:

ring.id = 66122
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 = 66122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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