UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37045487
37045487
37045479
37045479
37045474
37045474

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropanecarboxamide N-[2-(pyrrolidin-1-ylmethyl)phen…

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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) 2.14 8.31 -41.46 2 3 1 34 245.346 4 ↓

Analogs

41970287
41970287
41970288
41970288
41970289
41970289
37045481
37045481
37045480
37045480

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropanecarboxamide (1S,2R)-2-methyl-N-[2-(pyrrolidi…

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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) 2.75 9.12 -41.81 2 3 1 34 259.373 4 ↓

Analogs

41970288
41970288
41970289
41970289
41970286
41970286
37045481
37045481
37045480
37045480

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[2-(pyrrolidi…

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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) 2.75 9.07 -42.79 2 3 1 34 259.373 4 ↓

Analogs

41970289
41970289
41970286
41970286
41970287
41970287
37045481
37045481
37045480
37045480

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropanecarboxamide (1R,2R)-2-methyl-N-[2-(pyrrolidi…

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) 2.75 9.07 -42.87 2 3 1 34 259.373 4 ↓

Analogs

41970286
41970286
41970287
41970287
41970288
41970288
37045481
37045481
37045480
37045480

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[2-(pyrrolidi…

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) 2.75 9.12 -41.96 2 3 1 34 259.373 4 ↓

Parameters Provided:

ring.id = 597681
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 = 597681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597681&filter.purchasability=annotated

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