UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815168
11815168

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Popular Name: 1-(4-chlorophenyl)-N-[[(3R)-1-[(2-hydroxyphenyl)methyl]-3-piperidyl]methyl]cyclopropane-1-carboxamid 1-(4-chlorophenyl)-N-[[(3R)-1-[(…

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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) 4.28 -1.75 -42.34 3 4 1 54 399.942 6 ↓

Analogs

11815166
11815166

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Popular Name: 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidyl]methyl]cyclopropane-1-carboxamid 1-(4-chlorophenyl)-N-[[(3S)-1-[(…

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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) 4.28 -1.85 -40.83 3 4 1 54 399.942 6 ↓

Analogs

11841719
11841719
39638617
39638617
39638618
39638618

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Popular Name: 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]-3-piperidyl]methyl]cyclopropane-1-carboxamide 1-(4-chlorophenyl)-N-[[(3S)-1-[(…

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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) 4.73 0.15 -38.1 2 4 1 43 427.996 8 ↓

Analogs

39638617
39638617
39638618
39638618
11841717
11841717

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Popular Name: 1-(4-chlorophenyl)-N-[[(3R)-1-[(2-ethoxyphenyl)methyl]-3-piperidyl]methyl]cyclopropane-1-carboxamide 1-(4-chlorophenyl)-N-[[(3R)-1-[(…

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) 4.73 0.25 -39.97 2 4 1 43 427.996 8 ↓

Parameters Provided:

ring.id = 47908
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 = 47908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=47908&filter.purchasability=annotated

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