UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19285572
19285572
31260406
31260406

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Popular Name: (1S,2R)-2-[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[4-[(2-methylthiazol-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) 0.19 5.05 -57.65 0 6 -1 77 308.383 4 ↓
Mid Mid (pH 6-8) 0.19 7.28 -68.39 1 6 0 78 309.391 4 ↓
Lo Low (pH 4.5-6) 0.19 5.34 -53.48 2 6 1 75 310.399 4 ↓

Analogs

19285572
19285572
31260406
31260406

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[4-[(2-methylthiazol-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) 0.19 5.13 -51.8 0 6 -1 77 308.383 4 ↓
Mid Mid (pH 6-8) 0.19 7.36 -70.65 1 6 0 78 309.391 4 ↓
Lo Low (pH 4.5-6) 0.19 5.38 -46.39 2 6 1 75 310.399 4 ↓

Analogs

19285572
19285572
31260406
31260406

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2R)-2-[4-[(2-methylthiazol-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.19 5.14 -51.26 0 6 -1 77 308.383 4 ↓
Mid Mid (pH 6-8) 0.19 7.37 -72.68 1 6 0 78 309.391 4 ↓
Lo Low (pH 4.5-6) 0.19 5.37 -47.14 2 6 1 75 310.399 4 ↓

Analogs

19285572
19285572
31260406
31260406

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2S)-2-[4-[(2-methylthiazol-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.19 5.04 -61.51 0 6 -1 77 308.383 4 ↓
Mid Mid (pH 6-8) 0.19 7.28 -62.83 1 6 0 78 309.391 4 ↓
Lo Low (pH 4.5-6) 0.19 5.34 -52.88 2 6 1 75 310.399 4 ↓

Parameters Provided:

ring.id = 191522
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 = 191522 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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