UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[2-(pyrrolidin-1-ylmethyl)anilino]methyl]phenol 4-[[2-(pyrrolidin-1-ylmethyl)ani…

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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) 2.87 7.58 -34.63 3 3 1 37 283.395 5 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(4-bromophenyl)methyl]-2-(pyr…

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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) 4.16 11.06 -33.35 2 2 1 16 346.292 5 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(4-fluorophenyl)methyl]-2-(py…

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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) 3.52 10.5 -34.07 2 2 1 16 285.386 5 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(3-bromophenyl)methyl]-2-(pyr…

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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) 4.14 11.05 -33.31 2 2 1 16 346.292 5 ↓

Analogs

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Popular Name: N-(p-tolylmethyl)-2-(pyrrolidin-1-ylmethyl)aniline N-(p-tolylmethyl)-2-(pyrrolidin-…

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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) 3.80 11.11 -31.33 2 2 1 16 281.423 5 ↓

Analogs

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Popular Name: 2-[[2-(pyrrolidin-1-ylmethyl)anilino]methyl]phenol 2-[[2-(pyrrolidin-1-ylmethyl)ani…

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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) 3.29 7.62 -34.58 3 3 1 37 283.395 5 ↓

Analogs

41970251
41970251
5701405
5701405
518571
518571

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Popular Name: N-benzyl-2-(pyrrolidin-1-ylmethyl)aniline N-benzyl-2-(pyrrolidin-1-ylmethy…

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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) 3.35 10.43 -31.36 2 2 1 16 267.396 5 ↓

Analogs

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Popular Name: 3-[[2-(pyrrolidin-1-ylmethyl)anilino]methyl]phenol 3-[[2-(pyrrolidin-1-ylmethyl)ani…

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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) 2.85 7.58 -34.75 3 3 1 37 283.395 5 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(2-bromophenyl)methyl]-2-(pyr…

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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) 4.11 10.93 -31.33 2 2 1 16 346.292 5 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(3-chlorophenyl)methyl]-2-(py…

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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) 4.01 10.94 -33.2 2 2 1 16 301.841 5 ↓

Analogs

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Popular Name: N-[(1S)-1-phenylethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S)-1-phenylethyl]-2-(pyrrol…

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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) 3.91 11.16 -33.98 2 2 1 16 281.423 5 ↓

Analogs

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Popular Name: N-[(1R)-1-phenylethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R)-1-phenylethyl]-2-(pyrrol…

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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) 3.91 11.15 -32.68 2 2 1 16 281.423 5 ↓

Parameters Provided:

ring.id = 149917
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 = 149917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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