UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39862316
39862316
39862720
39862720
8820813
8820813
8833802
8833802

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Popular Name: (2Z,5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-phenylimino-thiazolidin-4-one (2Z,5Z)-5-[[4-[(4-chlorophenyl)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) 6.97 11.56 -10.5 1 4 0 54 420.921 5 ↓
Ref Reference (pH 7) 6.48 11.38 -44.04 0 4 -1 53 419.913 6 ↓

Analogs

39862317
39862317
39862319
39862319
39862721
39862721
39862723
39862723
39862823
39862823

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Popular Name: (2Z,5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-phenylimino-thiazolidin-4-one (2Z,5Z)-5-[[4-[(2-chlorophenyl)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) 6.51 11.48 -10.42 1 5 0 64 450.947 6 ↓

Analogs

39862318
39862318
39862717
39862717
39862722
39862722
39862724
39862724
39863224
39863224

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Popular Name: (2Z,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-phenylimino-thiazolidin-4-one (2Z,5Z)-5-[[4-[(4-chlorophenyl)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) 6.56 11.46 -11.56 1 5 0 64 450.947 6 ↓
Ref Reference (pH 7) 6.07 11.35 -44.06 0 5 -1 63 449.939 7 ↓

Analogs

33687237
33687237
39863721
39863721
39863722
39863722
39863726
39863726
39863727
39863727

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Popular Name: (2Z,5Z)-2-(2-chlorophenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]thiazolid (2Z,5Z)-2-(2-chlorophenyl)imino-…

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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) 7.19 12.09 -12.48 1 5 0 64 485.392 6 ↓

Analogs

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Popular Name: 3-[[4-[(Z)-[(2Z)-2-(4-ethylphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl 3-[[4-[(Z)-[(2Z)-2-(4-ethylpheny…

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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) 6.68 12.94 -58.14 1 7 -1 104 487.557 8 ↓
Mid Mid (pH 6-8) 6.19 11.94 -102.31 0 7 -2 103 486.549 9 ↓

Analogs

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Popular Name: 2-[[2,6-dichloro-4-[(E)-[(2E)-2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]me 2-[[2,6-dichloro-4-[(E)-[(2E)-2-…

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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) 7.27 12.31 -12.4 1 6 0 87 510.402 6 ↓
Ref Reference (pH 7) 7.27 12.73 -13.14 1 6 0 87 510.402 6 ↓
Mid Mid (pH 6-8) 6.78 12.18 -41.45 0 6 -1 86 509.394 7 ↓

Analogs

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Popular Name: (2E,5E)-5-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-2-(4-methoxyphenyl)imino- (2E,5E)-5-[[3-chloro-5-ethoxy-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) 7.24 12.27 -13.21 1 6 0 73 512.99 8 ↓
Ref Reference (pH 7) 7.24 12.68 -14.03 1 6 0 73 512.99 8 ↓
Mid Mid (pH 6-8) 6.74 12.14 -44.6 0 6 -1 72 511.982 9 ↓

Analogs

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Popular Name: (2E,5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-on (2E,5E)-5-[[4-[(2,4-dichlorophen…

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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) 8.40 14.32 -8.64 1 4 0 54 483.42 6 ↓
Mid Mid (pH 6-8) 8.00 13.77 -41.96 0 4 -1 53 482.412 7 ↓

Analogs

16677228
16677228
16689057
16689057
39863721
39863721
39863722
39863722
39863726
39863726

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Popular Name: (2E,5Z)-2-(2-chlorophenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]thiazolidi (2E,5Z)-2-(2-chlorophenyl)imino-…

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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) 7.57 13.34 -12.05 1 5 0 64 499.419 7 ↓

Analogs

39863722
39863722
39863729
39863729
39864207
39864207

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Popular Name: 2-[[4-[(E)-[(2E)-2-(2-chlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-ethoxy-phenoxy]methyl 2-[[4-[(E)-[(2E)-2-(2-chlorophen…

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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) 6.60 13.47 -14.33 1 6 0 87 489.984 7 ↓

Analogs

9235034
9235034

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Popular Name: (2Z,5Z)-2-(2-chlorophenyl)imino-5-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]thiazolidin (2Z,5Z)-2-(2-chlorophenyl)imino-…

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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) 6.45 12.28 -17.17 1 8 0 110 495.944 7 ↓

Analogs

39862312
39862312
39862716
39862716
39862718
39862718
39863218
39863218
39864199
39864199

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Popular Name: (2Z,5E)-5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-3-methyl-2-phenylimino-thiazolidin-4-one (2Z,5E)-5-[(4-benzyloxy-3-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) 5.95 12.72 -11.86 0 5 0 53 430.529 6 ↓
Ref Reference (pH 7) 5.95 13.12 -11.7 0 5 0 53 430.529 6 ↓

Parameters Provided:

ring.id = 81442
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 = 81442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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