UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-indol-1-ylbutyl)cyclopropanamine N-(4-indol-1-ylbutyl)cyclopropan…

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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 9.54 -42.09 2 2 1 22 229.347 6 ↓

Analogs

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Popular Name: N-[4-(7-ethylindol-1-yl)butyl]cyclopropanamine N-[4-(7-ethylindol-1-yl)butyl]cy…

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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) 3.79 10.44 -43.58 2 2 1 22 257.401 7 ↓

Analogs

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Popular Name: N-[4-(2-methylindol-1-yl)butyl]cyclopropanamine N-[4-(2-methylindol-1-yl)butyl]c…

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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) 3.14 10.02 -42.7 2 2 1 22 243.374 6 ↓

Analogs

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Popular Name: N-[4-(5-methoxyindol-1-yl)butyl]cyclopropanamine N-[4-(5-methoxyindol-1-yl)butyl]…

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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) 2.95 8.82 -45.23 2 3 1 31 259.373 7 ↓

Analogs

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Popular Name: N-[4-(5-bromoindol-1-yl)butyl]cyclopropanamine N-[4-(5-bromoindol-1-yl)butyl]cy…

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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) 3.70 10.16 -43.19 2 2 1 22 308.243 6 ↓

Analogs

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Popular Name: N-[4-(6-fluoroindol-1-yl)butyl]cyclopropanamine N-[4-(6-fluoroindol-1-yl)butyl]c…

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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 9.6 -41.82 2 2 1 22 247.337 6 ↓

Analogs

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Popular Name: N-[4-(6-methylindol-1-yl)butyl]cyclopropanamine N-[4-(6-methylindol-1-yl)butyl]c…

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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) 3.34 10.2 -42.11 2 2 1 22 243.374 6 ↓

Analogs

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Popular Name: N-[4-(4-methylindol-1-yl)butyl]cyclopropanamine N-[4-(4-methylindol-1-yl)butyl]c…

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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) 3.32 10.18 -41.85 2 2 1 22 243.374 6 ↓

Analogs

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Popular Name: N-[4-(6-chloroindol-1-yl)butyl]cyclopropanamine N-[4-(6-chloroindol-1-yl)butyl]c…

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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) 3.57 10.05 -41.42 2 2 1 22 263.792 6 ↓

Analogs

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Popular Name: N-[4-(3-methylindol-1-yl)butyl]cyclopropanamine N-[4-(3-methylindol-1-yl)butyl]c…

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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) 3.30 10.21 -41.9 2 2 1 22 243.374 6 ↓

Analogs

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Popular Name: N-[4-(6-bromoindol-1-yl)butyl]cyclopropanamine N-[4-(6-bromoindol-1-yl)butyl]cy…

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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) 3.70 10.15 -41.5 2 2 1 22 308.243 6 ↓

Parameters Provided:

ring.id = 72988
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 = 72988 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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