UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 7.09 15.02 -15.94 0 7 0 83 575.868 8 ↓

Analogs

39862321
39862321
39862391
39862391
39862423
39862423
39862525
39862525
39862725
39862725

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Popular Name: (2Z,5E)-5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-phenylimino-thiazolidin-4-one (2Z,5E)-5-[[5-(2-chlorophenyl)-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) 6.45 11.68 -12.61 1 4 0 58 380.856 3 ↓
Mid Mid (pH 6-8) 5.96 11.64 -47.58 0 4 -1 57 379.848 4 ↓

Analogs

39862325
39862325
39862427
39862427
39862729
39862729
39863231
39863231
39863333
39863333

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Popular Name: (2Z,5E)-5-[[5-(4-bromophenyl)-2-furyl]methylene]-2-phenylimino-thiazolidin-4-one (2Z,5E)-5-[[5-(4-bromophenyl)-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) 6.63 11.86 -11.51 1 4 0 58 425.307 3 ↓
Mid Mid (pH 6-8) 6.14 11.72 -47.44 0 4 -1 57 424.299 4 ↓

Analogs

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Popular Name: (2E,5Z)-5-[[5-(4-chloro-3-nitro-phenyl)-2-furyl]methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one (2E,5Z)-5-[[5-(4-chloro-3-nitro-…

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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) 7.01 11.18 -18.43 1 7 0 104 460.298 4 ↓

Analogs

16687998
16687998

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Popular Name: 4-[5-[(Z)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-thiazolidin-5-ylidene]methyl]-2-furyl]benzoni 4-[5-[(Z)-[(2Z)-3-(2-methoxyethy…

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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) 5.62 12.77 -14.91 0 6 0 81 429.501 6 ↓

Analogs

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Popular Name: (2E,5E)-2-(4-ethoxyphenyl)imino-5-[[5-(4-nitrophenyl)-2-furyl]methylene]thiazolidin-4-one (2E,5E)-2-(4-ethoxyphenyl)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) 6.21 12 -17.36 1 8 0 113 435.461 6 ↓
Mid Mid (pH 6-8) 5.72 11.51 -48.83 0 8 -1 112 434.453 7 ↓

Analogs

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Popular Name: 4-[(5-{[5-(3-fluorophenyl)-2-furyl]methylene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid 4-[(5-{[5-(3-fluorophenyl)-2-fur…

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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) 5.94 12.49 -62.31 0 6 -1 88 421.429 4 ↓

Analogs

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Popular Name: (2E,5Z)-5-[[5-(2-bromo-4-methyl-phenyl)-2-furyl]methylene]-2-p-phenetylimino-thiazolidin-4-one (2E,5Z)-5-[[5-(2-bromo-4-methyl-…

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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) 7.44 11.98 -11.59 1 5 0 68 483.387 5 ↓

Analogs

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Popular Name: 4-chloro-3-[5-[(E)-[(2Z)-2-(4-fluorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic 4-chloro-3-[5-[(E)-[(2Z)-2-(4-fl…

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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 12.75 -59.52 1 6 -1 98 441.847 4 ↓

Parameters Provided:

ring.id = 8595
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 = 8595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8595&filter.purchasability=annotated

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