UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-phenyl-2-thiazol-5-yl-ethanamine (1R)-1-phenyl-2-thiazol-5-yl-eth…

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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) 0.40 4.35 -44.86 3 2 1 41 205.306 3 ↓
Hi High (pH 8-9.5) 0.40 4 -5.14 2 2 0 39 204.298 3 ↓

Analogs

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Popular Name: (1S)-1-phenyl-2-thiazol-5-yl-ethanamine (1S)-1-phenyl-2-thiazol-5-yl-eth…

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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) 0.40 4.31 -44.97 3 2 1 41 205.306 3 ↓
Hi High (pH 8-9.5) 0.40 3.97 -4.9 2 2 0 39 204.298 3 ↓

Analogs

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Popular Name: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate dimethyl 2-[(2-chloro-1,3-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) 4.26 10.42 -23.81 0 8 0 111 452.794 9 ↓

Analogs

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Popular Name: 2-chloro-5-(2-nitrophenethyl)-1,3-thiazole 2-chloro-5-(2-nitrophenethyl)-1,…

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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) 3.80 7.95 -9.87 0 4 0 59 268.725 4 ↓

Analogs

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Popular Name: methyl 2-amino-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate methyl 2-amino-5-(2-phenylethyl)…

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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) 2.77 6.74 -8.51 2 4 0 65 262.334 5 ↓

Parameters Provided:

ring.id = 154378
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 = 154378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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