UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36156151
36156151
1705552
1705552

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Popular Name: MFCD13561680 MFCD13561680

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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) 2.40 8.6 -92.25 3 2 2 21 234.387 5 ↓

Analogs

36156149
36156149
1705552
1705552

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Popular Name: MFCD13561686 MFCD13561686

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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) 2.78 9.28 -91.28 3 2 2 21 248.414 6 ↓

Analogs

56522745
56522745
56522746
56522746
70188963
70188963
15423970
15423970

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Popular Name: N-methyl-N-(m-tolylmethyl)-2-(4-piperidyl)ethanamine N-methyl-N-(m-tolylmethyl)-2-(4-…

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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) 2.83 9.28 -92.46 3 2 2 21 248.414 5 ↓

Analogs

70188937
70188937
42427602
42427602

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Popular Name: N-methyl-N-(o-tolylmethyl)-2-(4-piperidyl)ethanamine N-methyl-N-(o-tolylmethyl)-2-(4-…

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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) 2.80 9.24 -93.03 3 2 2 21 248.414 5 ↓

Analogs

15423978
15423978
15424016
15424016

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Popular Name: N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(2-fluorophenyl)methyl]-N-met…

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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) 2.52 8.51 -90.63 3 2 2 21 252.377 5 ↓

Analogs

56522704
56522704
15423976
15423976
15424015
15424015

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Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(4-fluorophenyl)methyl]-N-met…

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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) 2.57 8.67 -98.58 3 2 2 21 252.377 5 ↓

Analogs

70188789
70188789
42427582
42427582

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Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(3-chlorophenyl)methyl]-N-met…

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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) 3.06 9.13 -95.98 3 2 2 21 268.832 5 ↓

Analogs

56524173
56524173
15423974
15423974
15424013
15424013

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Popular Name: N-[(2-chlorophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(2-chlorophenyl)methyl]-N-met…

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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) 3.03 9.13 -87.82 3 2 2 21 268.832 5 ↓

Analogs

15423972
15423972
15424011
15424011

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Popular Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(4-chlorophenyl)methyl]-N-met…

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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) 3.08 9.12 -97.45 3 2 2 21 268.832 5 ↓

Analogs

70189040
70189040
42427605
42427605

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Popular Name: N-[(4-bromophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(4-bromophenyl)methyl]-N-meth…

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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) 3.21 9.23 -97.73 3 2 2 21 313.283 5 ↓

Analogs

56525361
56525361
70189074
70189074
42427590
42427590

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Popular Name: N-[(3-bromophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(3-bromophenyl)methyl]-N-meth…

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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) 3.19 9.24 -96.13 3 2 2 21 313.283 5 ↓

Analogs

70188842
70188842
42427561
42427561

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Popular Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(4-piperidyl)ethanamine N-[(2-bromophenyl)methyl]-N-meth…

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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) 3.16 9.23 -87.55 3 2 2 21 313.283 5 ↓

Parameters Provided:

ring.id = 75734
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 = 75734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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