UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2-chloroacetyl)amino]-3-phenyl-2-thioxo-thiazole-5-carboxamide 4-[(2-chloroacetyl)amino]-3-phen…

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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) 1.15 3.67 -41.38 2 5 -1 83 326.81 4 ↓

Analogs

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Popular Name: Ethyl 4-amino-3-(3,4-dichlorophenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate Ethyl 4-amino-3-(3,4-dichlorophe…

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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) 3.55 -1.41 -6.71 2 4 0 57 349.264 4 ↓

Analogs

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Popular Name: ethyl 4-amino-3-(4-nitrophenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate ethyl 4-amino-3-(4-nitrophenyl)-…

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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) 2.01 -0.61 -10 2 7 0 103 325.371 5 ↓

Analogs

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Popular Name: methoxycarbonylmethyl methoxycarbonylmethyl

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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) 2.15 1.57 -12.82 0 5 0 57 323.395 6 ↓

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Popular Name: ethyl ethyl

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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) 2.54 7.97 -40.2 0 5 -1 67 355.848 6 ↓

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Popular Name: ethyl ethyl

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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) 2.81 8.8 -39.69 0 5 -1 67 369.875 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.08 9.57 -42.45 0 5 -1 67 383.902 8 ↓

Analogs

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Popular Name: 4-chloro-N-(5-cyano-3-phenyl-2-thioxo-thiazol-4-yl)butanamide 4-chloro-N-(5-cyano-3-phenyl-2-t…

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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) 2.63 8.46 -35.83 0 4 -1 64 336.849 5 ↓

Analogs

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Popular Name: 3-chloro-N-(5-cyano-3-phenyl-2-thioxo-thiazol-4-yl)propanamide 3-chloro-N-(5-cyano-3-phenyl-2-t…

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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) 2.36 7.7 -33.36 0 4 -1 64 322.822 4 ↓

Analogs

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Popular Name: 2-chloro-N-(5-cyano-3-phenyl-2-thioxo-thiazol-4-yl)acetamide 2-chloro-N-(5-cyano-3-phenyl-2-t…

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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) 2.09 6.87 -33.81 0 4 -1 64 308.795 3 ↓

Analogs

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Popular Name: 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile 4-amino-3-(2-methoxyphenyl)-2-th…

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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) 1.82 6.14 -11.43 2 4 0 64 263.347 2 ↓

Parameters Provided:

ring.id = 120998
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 = 120998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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