UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2S)-2-(2-methylpyrazol-3-yl)tetralin-2-ol (2S)-2-(2-methylpyrazol-3-yl)tet…

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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) 2.34 4.65 -6.76 1 3 0 38 228.295 1 ↓

Analogs

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Popular Name: (2R)-2-(2-methylpyrazol-3-yl)tetralin-2-ol (2R)-2-(2-methylpyrazol-3-yl)tet…

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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) 2.34 4.84 -6.26 1 3 0 38 228.295 1 ↓

Analogs

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Popular Name: (2S)-6-bromo-2-(2-methylpyrazol-3-yl)tetralin-2-ol (2S)-6-bromo-2-(2-methylpyrazol-…

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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) 3.12 5.28 -7.04 1 3 0 38 307.191 1 ↓

Analogs

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Popular Name: (2R)-6-bromo-2-(2-methylpyrazol-3-yl)tetralin-2-ol (2R)-6-bromo-2-(2-methylpyrazol-…

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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) 3.12 5.46 -6.63 1 3 0 38 307.191 1 ↓

Analogs

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Popular Name: (2S)-2-(2-propylpyrazol-3-yl)tetralin-2-ol (2S)-2-(2-propylpyrazol-3-yl)tet…

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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) 3.21 6.47 -5.56 1 3 0 38 256.349 3 ↓

Analogs

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Popular Name: (2R)-2-(2-propylpyrazol-3-yl)tetralin-2-ol (2R)-2-(2-propylpyrazol-3-yl)tet…

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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) 3.21 6.7 -6.41 1 3 0 38 256.349 3 ↓

Analogs

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Popular Name: (2S)-2-(2-ethylpyrazol-3-yl)tetralin-2-ol (2S)-2-(2-ethylpyrazol-3-yl)tetr…

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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) 2.71 5.74 -5.83 1 3 0 38 242.322 2 ↓

Analogs

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Popular Name: (2R)-2-(2-ethylpyrazol-3-yl)tetralin-2-ol (2R)-2-(2-ethylpyrazol-3-yl)tetr…

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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) 2.71 5.97 -6.78 1 3 0 38 242.322 2 ↓

Analogs

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Popular Name: (2S)-6-bromo-2-(2-propylpyrazol-3-yl)tetralin-2-ol (2S)-6-bromo-2-(2-propylpyrazol-…

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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) 4.00 7.09 -5.97 1 3 0 38 335.245 3 ↓

Analogs

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Popular Name: (2R)-6-bromo-2-(2-propylpyrazol-3-yl)tetralin-2-ol (2R)-6-bromo-2-(2-propylpyrazol-…

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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) 4.00 7.33 -6.69 1 3 0 38 335.245 3 ↓

Analogs

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Popular Name: (2S)-6-bromo-2-(2-ethylpyrazol-3-yl)tetralin-2-ol (2S)-6-bromo-2-(2-ethylpyrazol-3…

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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) 3.50 6.35 -6.18 1 3 0 38 321.218 2 ↓

Analogs

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Popular Name: (2R)-6-bromo-2-(2-ethylpyrazol-3-yl)tetralin-2-ol (2R)-6-bromo-2-(2-ethylpyrazol-3…

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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) 3.50 6.58 -7.08 1 3 0 38 321.218 2 ↓

Parameters Provided:

ring.id = 342599
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 = 342599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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