UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4590516
4590516

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Popular Name: N-[4-[2-(cyclohexylamino)thiazol-4-yl]-3-fluoro-phenyl]acetamide N-[4-[2-(cyclohexylamino)thiazol…

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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) 3.74 7.81 -11.02 2 4 0 54 333.432 4 ↓
Lo Low (pH 4.5-6) 4.26 5.28 -28.37 3 4 1 59 334.44 4 ↓
Lo Low (pH 4.5-6) 3.74 8.25 -32.83 3 4 1 55 334.44 4 ↓

Analogs

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Popular Name: N-cyclohexyl-4-(4-methylsulfonylphenyl)thiazol-2-amine N-cyclohexyl-4-(4-methylsulfonyl…

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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) 3.30 6.42 -13.88 1 4 0 59 336.482 4 ↓
Lo Low (pH 4.5-6) 3.30 6.74 -40.05 2 4 1 60 337.49 4 ↓

Analogs

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Popular Name: N-[4-[2-(cyclohexylamino)thiazol-4-yl]phenyl]methanesulfonamide N-[4-[2-(cyclohexylamino)thiazol…

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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) 3.66 5.67 -12.99 2 5 0 71 351.497 5 ↓
Mid Mid (pH 6-8) 3.66 5.74 -40.26 1 5 -1 73 350.489 5 ↓
Lo Low (pH 4.5-6) 3.66 5.98 -39.63 3 5 1 72 352.505 5 ↓

Analogs

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Popular Name: N-[[4-[2-(cyclohexylamino)thiazol-4-yl]phenyl]methyl]acetamide N-[[4-[2-(cyclohexylamino)thiazo…

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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) 3.35 7.88 -11.89 2 4 0 54 329.469 5 ↓
Lo Low (pH 4.5-6) 3.35 8.2 -37.66 3 4 1 55 330.477 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cyclohexyl-N-methyl-4-phenyl-thiazol-2-amine 5-(aminomethyl)-N-cyclohexyl-N-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) 4.10 8.47 -42.41 3 3 1 44 302.467 4 ↓
Mid Mid (pH 6-8) 4.10 8.01 -6.2 2 3 0 42 301.459 4 ↓

Analogs

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Popular Name: [2-[cyclohexyl(methyl)amino]-4-phenyl-thiazol-5-yl]methanol [2-[cyclohexyl(methyl)amino]-4-p…

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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) 4.25 7.95 -8.42 1 3 0 36 302.443 4 ↓
Lo Low (pH 4.5-6) 4.25 8.08 -23.92 2 3 1 38 303.451 4 ↓

Parameters Provided:

ring.id = 43002
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 = 43002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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