UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608162
43608162

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Popular Name: N-[(S)-2-furyl(1-naphthyl)methyl]ethanamine N-[(S)-2-furyl(1-naphthyl)methyl…

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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) 4.07 9.14 -37.7 2 2 1 30 252.337 4 ↓

Analogs

43608160
43608160

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Popular Name: N-[(R)-2-furyl(1-naphthyl)methyl]ethanamine N-[(R)-2-furyl(1-naphthyl)methyl…

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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) 4.07 9.13 -38.01 2 2 1 30 252.337 4 ↓

Analogs

43608766
43608766

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Popular Name: N-[(S)-2-furyl(1-naphthyl)methyl]propan-1-amine N-[(S)-2-furyl(1-naphthyl)methyl…

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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) 4.57 9.89 -38.3 2 2 1 30 266.364 5 ↓

Analogs

43608763
43608763

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Popular Name: N-[(R)-2-furyl(1-naphthyl)methyl]propan-1-amine N-[(R)-2-furyl(1-naphthyl)methyl…

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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) 4.57 9.87 -38.63 2 2 1 30 266.364 5 ↓

Analogs

43609634
43609634
51726615
51726615
51726617
51726617

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Popular Name: (R)-(5-methyl-2-furyl)-(1-naphthyl)methanamine (R)-(5-methyl-2-furyl)-(1-naphth…

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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) 3.54 7.2 -45.6 3 2 1 41 238.31 2 ↓
Hi High (pH 8-9.5) 3.54 6.87 -5.92 2 2 0 39 237.302 2 ↓

Analogs

51726615
51726615
51726617
51726617
43609631
43609631

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Popular Name: (S)-(5-methyl-2-furyl)-(1-naphthyl)methanamine (S)-(5-methyl-2-furyl)-(1-naphth…

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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) 3.54 7.24 -45.22 3 2 1 41 238.31 2 ↓
Hi High (pH 8-9.5) 3.54 6.9 -6.3 2 2 0 39 237.302 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-furyl)-(1-naphthyl)methanol (S)-(5-bromo-2-furyl)-(1-naphthy…

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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) 4.21 6.91 -6.05 1 2 0 33 303.155 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-furyl)-(1-naphthyl)methanol (R)-(5-bromo-2-furyl)-(1-naphthy…

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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) 4.21 6.79 -6.1 1 2 0 33 303.155 2 ↓

Analogs

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Popular Name: (S)-(4,5-dibromo-2-furyl)-(1-naphthyl)methanol (S)-(4,5-dibromo-2-furyl)-(1-nap…

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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) 4.94 7.51 -5.52 1 2 0 33 382.051 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dibromo-2-furyl)-(1-naphthyl)methanol (R)-(4,5-dibromo-2-furyl)-(1-nap…

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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) 4.94 7.4 -5.51 1 2 0 33 382.051 2 ↓

Parameters Provided:

ring.id = 1134
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 = 1134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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