UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43990218
43990218
43990223
43990223
43990231
43990231
43990410
43990410
43990413
43990413

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Popular Name: 1-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 1-[[(2S)-1-(cyclopentylmethyl)py…

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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) 1.66 10.82 -32.91 1 4 1 35 235.355 4 ↓
Hi High (pH 8-9.5) 1.66 8.91 -6.32 0 4 0 34 234.347 4 ↓

Analogs

43990410
43990410
43990413
43990413
43990417
43990417
43990422
43990422
43990763
43990763

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Popular Name: 1-[[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 1-[[(2R)-1-(cyclopentylmethyl)py…

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) 1.66 9.97 -36.88 1 4 1 35 235.355 4 ↓
Hi High (pH 8-9.5) 1.66 7.83 -6.29 0 4 0 34 234.347 4 ↓

Parameters Provided:

ring.id = 354142
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 = 354142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=354142&filter.purchasability=annotated

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