UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide (3R)-N-cyclopropyl-3-(1H-indol-3…

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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) 5.13 12.04 -15.79 2 4 0 54 396.49 7 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide (3S)-N-cyclopropyl-3-(1H-indol-3…

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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) 5.13 12.03 -15.34 2 4 0 54 396.49 7 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide (3S)-N-cyclopropyl-3-(7-ethyl-1H…

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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) 5.99 13.46 -15.25 2 4 0 54 424.544 8 ↓

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide (3R)-N-cyclopropyl-3-(7-ethyl-1H…

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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) 5.99 13.38 -14.98 2 4 0 54 424.544 8 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide (3S)-N-cyclopropyl-3-(1-methylin…

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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) 5.19 13.67 -16.15 1 4 0 43 410.517 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide (3R)-N-cyclopropyl-3-(1-methylin…

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) 5.19 13.67 -15.38 1 4 0 43 410.517 7 ↓

Parameters Provided:

ring.id = 16917
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 = 16917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16917&filter.purchasability=annotated

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