UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-(2,5-dimethoxyphenyl)-1-phenethyloxy-propan-2-ol (2S)-2-(2,5-dimethoxyphenyl)-1-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) 3.54 6.43 -7.27 1 4 0 48 316.397 8 ↓

Analogs

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Popular Name: (2R)-2-(2,5-dimethoxyphenyl)-1-phenethyloxy-propan-2-ol (2R)-2-(2,5-dimethoxyphenyl)-1-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) 3.54 6.63 -7.25 1 4 0 48 316.397 8 ↓

Analogs

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Popular Name: 1,4-dimethoxy-2-[(1R)-1-methyl-2-phenethyloxy-ethyl]benzene 1,4-dimethoxy-2-[(1R)-1-methyl-2…

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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) 4.27 9.01 -5.93 0 3 0 28 300.398 8 ↓

Analogs

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Popular Name: 1,4-dimethoxy-2-[(1S)-1-methyl-2-phenethyloxy-ethyl]benzene 1,4-dimethoxy-2-[(1S)-1-methyl-2…

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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) 4.27 9.01 -5.94 0 3 0 28 300.398 8 ↓

Analogs

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Popular Name: 2-[(1R)-1-methyl-2-phenethyloxy-ethyl]benzene-1,4-diol 2-[(1R)-1-methyl-2-phenethyloxy-…

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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) 3.67 4.7 -6.21 2 3 0 50 272.344 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-methyl-2-phenethyloxy-ethyl]benzene-1,4-diol 2-[(1S)-1-methyl-2-phenethyloxy-…

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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) 3.67 4.69 -6.26 2 3 0 50 272.344 6 ↓

Analogs

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Popular Name: (1S,2R)-1-(4-ethylphenyl)-2-phenethyloxy-propan-1-amine (1S,2R)-1-(4-ethylphenyl)-2-phen…

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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) 2.49 9.34 -45.44 3 2 1 37 284.423 7 ↓
Hi High (pH 8-9.5) 2.49 9.05 -3.27 2 2 0 35 283.415 7 ↓

Analogs

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Popular Name: (1R,2R)-1-(4-ethylphenyl)-2-phenethyloxy-propan-1-amine (1R,2R)-1-(4-ethylphenyl)-2-phen…

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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) 2.49 9.58 -42.13 3 2 1 37 284.423 7 ↓
Hi High (pH 8-9.5) 2.49 9.24 -3.34 2 2 0 35 283.415 7 ↓

Analogs

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Popular Name: (1S,2S)-1-(4-ethylphenyl)-2-phenethyloxy-propan-1-amine (1S,2S)-1-(4-ethylphenyl)-2-phen…

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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) 2.49 9.57 -41.83 3 2 1 37 284.423 7 ↓
Hi High (pH 8-9.5) 2.49 9.27 -2.77 2 2 0 35 283.415 7 ↓

Analogs

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Popular Name: (1R,2S)-1-(4-ethylphenyl)-2-phenethyloxy-propan-1-amine (1R,2S)-1-(4-ethylphenyl)-2-phen…

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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) 2.49 9.34 -45.37 3 2 1 37 284.423 7 ↓
Hi High (pH 8-9.5) 2.49 9.01 -4.04 2 2 0 35 283.415 7 ↓

Parameters Provided:

ring.id = 35484
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 = 35484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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