UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-3,3-diphenyl-propan-1-amine N-[(2-fluorophenyl)methyl]-3,3-d…

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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) 5.07 12.92 -41.74 2 1 1 17 320.431 7 ↓
Hi High (pH 8-9.5) 5.07 11.54 -5.9 1 1 0 12 319.423 7 ↓

Analogs

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Popular Name: (2S)-3-[benzyl(methyl)amino]-2-methyl-1,1-diphenyl-propan-2-ol (2S)-3-[benzyl(methyl)amino]-2-m…

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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) 4.73 13.21 -39.05 2 2 1 25 346.494 7 ↓
Hi High (pH 8-9.5) 4.73 11.53 -4.06 1 2 0 23 345.486 7 ↓

Analogs

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Popular Name: (2R)-3-[benzyl(methyl)amino]-2-methyl-1,1-diphenyl-propan-2-ol (2R)-3-[benzyl(methyl)amino]-2-m…

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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) 4.73 13.07 -40.06 2 2 1 25 346.494 7 ↓
Hi High (pH 8-9.5) 4.73 11.28 -4.08 1 2 0 23 345.486 7 ↓

Analogs

9053832
9053832

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Popular Name: N-benzyl-N-[(3S)-3-(2-methoxyphenyl)-3-phenyl-propyl]acetamide N-benzyl-N-[(3S)-3-(2-methoxyphe…

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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 13.3 -9.61 0 3 0 30 373.496 8 ↓

Analogs

16424332
16424332
34931505
34931505
34931514
34931514
34931516
34931516

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Popular Name: N-benzyl-N-[(3S)-3-(4-isopropoxyphenyl)-3-phenyl-propyl]acetamide N-benzyl-N-[(3S)-3-(4-isopropoxy…

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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) 5.36 3.03 -11.49 0 3 0 29 401.55 9 ↓

Analogs

16424332
16424332
34931505
34931505
34931514
34931514
34931516
34931516

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Popular Name: N-benzyl-N-[(3R)-3-(4-isopropoxyphenyl)-3-phenyl-propyl]acetamide N-benzyl-N-[(3R)-3-(4-isopropoxy…

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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) 5.36 3.03 -11.9 0 3 0 29 401.55 9 ↓

Analogs

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Popular Name: N-[4-(dimethylamino)benzyl]-N-[(3R)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]acetamide N-[4-(dimethylamino)benzyl]-N-[(…

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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) 5.47 3.19 -14.31 0 5 0 42 474.645 11 ↓

Analogs

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Popular Name: N-[4-(dimethylamino)benzyl]-N-[(3S)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]acetamide N-[4-(dimethylamino)benzyl]-N-[(…

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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) 5.47 3.15 -13.1 0 5 0 42 474.645 11 ↓

Analogs

34991324
34991324

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Popular Name: [(3S)-3-(4-isopropoxyphenyl)-3-phenyl-propyl]-p-anisyl-ammonium [(3S)-3-(4-isopropoxyphenyl)-3-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) 5.81 13.06 -50.21 2 3 1 35 390.547 10 ↓

Analogs

34991324
34991324

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Popular Name: [(3R)-3-(4-isopropoxyphenyl)-3-phenyl-propyl]-p-anisyl-ammonium [(3R)-3-(4-isopropoxyphenyl)-3-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) 5.81 13.04 -50.65 2 3 1 35 390.547 10 ↓

Parameters Provided:

ring.id = 16554
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 = 16554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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