UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-[(2S)-pyrrolidin-2-yl]indan-1-ol (1R)-1-[(2S)-pyrrolidin-2-yl]ind…

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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) 1.77 3.89 -36.25 3 2 1 37 204.293 1 ↓
Hi High (pH 8-9.5) 1.77 2.49 -3.69 2 2 0 32 203.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2S)-pyrrolidin-2-yl]indan-1-ol (1S)-1-[(2S)-pyrrolidin-2-yl]ind…

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) 1.77 4.35 -33 3 2 1 37 204.293 1 ↓
Hi High (pH 8-9.5) 1.77 2.93 -3.93 2 2 0 32 203.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2R)-pyrrolidin-2-yl]indan-1-ol (1R)-1-[(2R)-pyrrolidin-2-yl]ind…

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) 1.77 4.41 -33.3 3 2 1 37 204.293 1 ↓
Hi High (pH 8-9.5) 1.77 3.31 -3.08 2 2 0 32 203.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2R)-pyrrolidin-2-yl]indan-1-ol (1S)-1-[(2R)-pyrrolidin-2-yl]ind…

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) 1.77 3.9 -36.37 3 2 1 37 204.293 1 ↓
Hi High (pH 8-9.5) 1.77 2.56 -2.92 2 2 0 32 203.285 1 ↓

Parameters Provided:

ring.id = 477317
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 = 477317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=477317&filter.purchasability=annotated

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