UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[5-amino-3-[[(1R,2S,4S)-norbornan-2-yl]methyl]pyrazol-1-yl]ethanol 2-[5-amino-3-[[(1R,2S,4S)-norbor…

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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) 1.70 3.46 -6.7 3 4 0 64 235.331 4 ↓
Lo Low (pH 4.5-6) 1.70 3.49 -28.57 4 4 1 65 236.339 4 ↓

Analogs

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Popular Name: 2-[5-amino-3-[[(1R,2R,4S)-norbornan-2-yl]methyl]pyrazol-1-yl]ethanol 2-[5-amino-3-[[(1R,2R,4S)-norbor…

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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) 1.70 3.56 -6.4 3 4 0 64 235.331 4 ↓
Lo Low (pH 4.5-6) 1.70 3.56 -28.28 4 4 1 65 236.339 4 ↓

Analogs

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Popular Name: N-[[(1R,2S,4S)-2-[(1-isopropylpyrazol-3-yl)methyl]norbornan-2-yl]methyl]ethanamine N-[[(1R,2S,4S)-2-[(1-isopropylpy…

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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) 2.97 9.12 -33.29 2 3 1 34 276.448 6 ↓

Analogs

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Popular Name: N-[[(1R,2R,4S)-2-[(1-isopropylpyrazol-3-yl)methyl]norbornan-2-yl]methyl]ethanamine N-[[(1R,2R,4S)-2-[(1-isopropylpy…

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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) 2.97 9.1 -36.97 2 3 1 34 276.448 6 ↓

Analogs

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Popular Name: N-[[(1R,2S,4S)-2-[(1-isopropylpyrazol-3-yl)methyl]norbornan-2-yl]methyl]propan-1-amine N-[[(1R,2S,4S)-2-[(1-isopropylpy…

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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) 3.47 9.88 -33.94 2 3 1 34 290.475 7 ↓

Analogs

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Popular Name: N-[[(1R,2R,4S)-2-[(1-isopropylpyrazol-3-yl)methyl]norbornan-2-yl]methyl]propan-1-amine N-[[(1R,2R,4S)-2-[(1-isopropylpy…

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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) 3.47 9.85 -37.75 2 3 1 34 290.475 7 ↓

Analogs

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Popular Name: N-[[(1R,2S,4S)-2-[(1-isopropylpyrazol-3-yl)methyl]norbornan-2-yl]methyl]propan-2-amine N-[[(1R,2S,4S)-2-[(1-isopropylpy…

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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) 3.62 9.63 -31.68 2 3 1 34 290.475 6 ↓

Analogs

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Popular Name: N-[[(1R,2R,4S)-2-[(1-isopropylpyrazol-3-yl)methyl]norbornan-2-yl]methyl]propan-2-amine N-[[(1R,2R,4S)-2-[(1-isopropylpy…

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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) 3.62 9.62 -35.85 2 3 1 34 290.475 6 ↓

Analogs

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Popular Name: (1R,2R,4S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]norbornane-2-carboxylic (1R,2R,4S)-2-[[1-(1-ethylpropyl)…

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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) 3.41 10.59 -62.08 0 4 -1 58 289.399 6 ↓
Lo Low (pH 4.5-6) 3.41 8.31 -10.94 1 4 0 55 290.407 6 ↓

Analogs

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Popular Name: (1R,2S,4S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]norbornane-2-carboxylic (1R,2S,4S)-2-[[1-(1-ethylpropyl)…

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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) 3.41 10.38 -62.98 0 4 -1 58 289.399 6 ↓
Lo Low (pH 4.5-6) 3.41 8.16 -10.55 1 4 0 55 290.407 6 ↓

Analogs

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Popular Name: [(1R,2R,4S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]norbornan-2-yl]methanamine [(1R,2R,4S)-2-[[1-(1-ethylpropyl…

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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) 2.97 7.71 -39.81 3 3 1 45 276.448 6 ↓

Analogs

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Popular Name: [(1R,2S,4S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]norbornan-2-yl]methanamine [(1R,2S,4S)-2-[[1-(1-ethylpropyl…

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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) 2.97 7.65 -39.83 3 3 1 45 276.448 6 ↓

Analogs

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Popular Name: 1-[(1R,2R,4S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]norbornan-2-yl]-N-methyl-methanamine 1-[(1R,2R,4S)-2-[[1-(1-ethylprop…

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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) 3.95 9.59 -34.73 2 3 1 34 290.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]norbornan-2-yl]-N-methyl-methanamine 1-[(1R,2S,4S)-2-[[1-(1-ethylprop…

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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) 3.95 9.55 -35.4 2 3 1 34 290.475 7 ↓

Parameters Provided:

ring.id = 123914
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 = 123914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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