UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-fluoro-6-(2-iminopyrrolidin-1-yl)benzonitrile 2-fluoro-6-(2-iminopyrrolidin-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) 1.94 6.78 -11.92 1 3 0 51 203.22 1 ↓
Mid Mid (pH 6-8) 1.94 6.69 -35 2 3 1 53 204.228 1 ↓

Analogs

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Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-2-imine 1-[2-fluoro-5-(trifluoromethyl)p…

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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) 3.11 7.19 -30.05 2 2 1 29 247.215 2 ↓
Hi High (pH 8-9.5) 3.11 7.27 -6.6 1 2 0 27 246.207 2 ↓

Analogs

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Popular Name: 1-(4-butylphenyl)pyrrolidin-2-imine 1-(4-butylphenyl)pyrrolidin-2-imine

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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) 3.99 9.04 -27.25 2 2 1 29 217.336 4 ↓

Analogs

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Popular Name: 1-(4-propylphenyl)pyrrolidin-2-imine 1-(4-propylphenyl)pyrrolidin-2-i…

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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) 3.43 8.26 -27.19 2 2 1 29 203.309 3 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methoxy-phenyl)pyrrolidin-2-imine 1-(3-fluoro-4-methoxy-phenyl)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) 2.27 5.41 -33.56 2 3 1 38 209.244 2 ↓

Analogs

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Popular Name: 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-imine 1-[3-(methoxymethyl)phenyl]pyrro…

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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) 2.05 5.76 -28.99 2 3 1 38 205.281 3 ↓

Analogs

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Popular Name: 1-[2-(methoxymethyl)phenyl]pyrrolidin-2-imine 1-[2-(methoxymethyl)phenyl]pyrro…

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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) 2.03 6.18 -29.19 2 3 1 38 205.281 3 ↓

Analogs

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Popular Name: 1-(4-methoxy-3-methyl-phenyl)pyrrolidin-2-imine 1-(4-methoxy-3-methyl-phenyl)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) 2.56 6.07 -29.14 2 3 1 38 205.281 2 ↓

Analogs

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Popular Name: 1-(2-propylphenyl)pyrrolidin-2-imine 1-(2-propylphenyl)pyrrolidin-2-i…

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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) 3.38 8.09 -27.46 2 2 1 29 203.309 3 ↓

Analogs

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Popular Name: 1-(3-ethoxyphenyl)pyrrolidin-2-imine 1-(3-ethoxyphenyl)pyrrolidin-2-i…

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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) 2.53 6.26 -28.06 2 3 1 38 205.281 3 ↓
Hi High (pH 8-9.5) 2.53 6.34 -8.98 1 3 0 36 204.273 3 ↓

Analogs

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Popular Name: 1-(5-bromo-2-methoxy-phenyl)pyrrolidin-2-imine 1-(5-bromo-2-methoxy-phenyl)pyrr…

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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) 2.92 6.09 -27.71 2 3 1 38 270.15 2 ↓
Hi High (pH 8-9.5) 2.92 6.17 -7.08 1 3 0 36 269.142 2 ↓

Analogs

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Popular Name: 1-(4-fluoro-2-methoxy-phenyl)pyrrolidin-2-imine 1-(4-fluoro-2-methoxy-phenyl)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) 2.27 5.52 -29.02 2 3 1 38 209.244 2 ↓

Parameters Provided:

ring.id = 76713
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 = 76713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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