UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11957373
11957373

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Popular Name: (Z)-3-[3-methoxy-4-(m-tolylmethoxy)phenyl]-2-phenyl-prop-2-enoic (Z)-3-[3-methoxy-4-(m-tolylmetho…

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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) 4.91 2.41 -55.51 0 4 -1 59 373.428 7 ↓

Analogs

11863924
11863924
11896040
11896040
11948981
11948981
11956121
11956121
11956124
11956124

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Popular Name: (Z)-3-(4-benzyloxy-3-methoxy-phenyl)-2-(4-methoxyphenyl)prop-2-enoic (Z)-3-(4-benzyloxy-3-methoxy-phe…

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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) 4.54 2.11 -54.91 0 5 -1 68 389.427 8 ↓

Analogs

11951475
11951475

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Popular Name: (Z)-3-[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-phenyl-prop-2-enoic (Z)-3-[4-[(3-chlorophenyl)methox…

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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 1.94 -54.95 0 4 -1 59 393.846 7 ↓

Analogs

11955627
11955627
11799207
11799207

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Popular Name: (Z)-3-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-2-phenyl-prop-2-enoic (Z)-3-[3-ethoxy-4-[(4-fluorophen…

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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) 5.03 2.84 -53.52 0 4 -1 59 391.418 8 ↓

Analogs

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Popular Name: (Z)-3-(4-benzyloxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic (Z)-3-(4-benzyloxyphenyl)-2-(3,4…

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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) 4.54 2.11 -55.17 0 5 -1 68 389.427 8 ↓

Analogs

11953300
11953300
169771
169771

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Popular Name: (E)-3-(4-benzyloxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic (E)-3-(4-benzyloxyphenyl)-2-(4-m…

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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) 4.95 1.93 -52.9 0 4 -1 59 359.401 7 ↓

Analogs

15799075
15799075
15799078
15799078
40147096
40147096
2969138
2969138

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Popular Name: 2-{4-nitrophenyl}-3-[3-methoxy-4-(1-phenylethoxy)phenyl]acrylonitrile 2-{4-nitrophenyl}-3-[3-methoxy-4…

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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) 5.35 13.99 -13.67 0 6 0 88 400.434 7 ↓

Analogs

15799075
15799075
15799078
15799078
2969138
2969138

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Popular Name: 2-{4-nitrophenyl}-3-[3-methoxy-4-(1-phenylethoxy)phenyl]acrylonitrile 2-{4-nitrophenyl}-3-[3-methoxy-4…

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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) 5.35 14 -13.84 0 6 0 88 400.434 7 ↓

Analogs

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Popular Name: 3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)-prop-2-enenitrile 3-[4-[(4-chlorophenyl)methoxy]ph…

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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) 6.07 3.78 -13.99 0 5 0 78 390.826 6 ↓

Analogs

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Popular Name: (Z)-3-[4-(3-chlorobenzyl)oxy-3-methoxy-phenyl]-2-(4-nitrophenyl)acrylonitrile (Z)-3-[4-(3-chlorobenzyl)oxy-3-m…

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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) 5.64 4.11 -16.26 0 6 0 88 420.852 7 ↓

Analogs

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Popular Name: (Z)-3-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-2-(4-nitrophenyl)acrylonitrile (Z)-3-[4-(2-chloro-6-fluoro-benz…

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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) 6.14 4.47 -15.45 0 5 0 78 408.816 6 ↓

Parameters Provided:

ring.id = 42214
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 = 42214 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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