UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20260246
20260246
20260364
20260364

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopropyl-N2-ethyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-ethyl-…

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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) 0.70 6.99 -31.07 3 2 1 30 231.363 3 ↓
Mid Mid (pH 6-8) 0.70 7.3 -117.76 4 2 2 32 232.371 3 ↓

Analogs

20260246
20260246
20260364
20260364

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopropyl-N2-ethyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-ethyl-…

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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) 0.70 6.89 -31.37 3 2 1 30 231.363 3 ↓
Mid Mid (pH 6-8) 0.70 7.2 -116.05 4 2 2 32 232.371 3 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopropyl-N2-ethyl-6-methoxy-tetralin-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-ethyl-…

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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) 0.73 6.6 -122.17 4 3 2 41 262.397 4 ↓
Mid Mid (pH 6-8) 0.73 6.29 -33.75 3 3 1 40 261.389 4 ↓
Mid Mid (pH 6-8) 0.73 4.8 -41.07 3 3 1 40 261.389 4 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopropyl-N2-ethyl-6-methoxy-tetralin-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-ethyl-…

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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) 0.73 6.54 -120.44 4 3 2 41 262.397 4 ↓
Mid Mid (pH 6-8) 0.73 6.19 -33.77 3 3 1 40 261.389 4 ↓
Mid Mid (pH 6-8) 0.73 4.72 -42.24 3 3 1 40 261.389 4 ↓

Analogs

20260246
20260246
20260364
20260364

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopropyl-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-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) 0.32 6.53 -32.61 3 2 1 30 217.336 2 ↓
Mid Mid (pH 6-8) 0.32 6.84 -119.49 4 2 2 32 218.344 2 ↓

Analogs

20260246
20260246
20260364
20260364

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopropyl-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.32 6.35 -33.37 3 2 1 30 217.336 2 ↓
Mid Mid (pH 6-8) 0.32 6.64 -119.85 4 2 2 32 218.344 2 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopropyl-6-methoxy-N2-methyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopropyl-6-methoxy…

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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) 0.35 6.14 -123.82 4 3 2 41 248.37 3 ↓
Hi High (pH 8-9.5) 0.35 3.9 -3.61 2 3 0 38 246.354 3 ↓
Mid Mid (pH 6-8) 0.35 5.83 -35.35 3 3 1 40 247.362 3 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopropyl-6-methoxy-N2-methyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopropyl-6-methoxy…

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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) 0.35 5.95 -124.36 4 3 2 41 248.37 3 ↓
Hi High (pH 8-9.5) 0.35 3.36 -3.54 2 3 0 38 246.354 3 ↓
Mid Mid (pH 6-8) 0.35 5.64 -35.91 3 3 1 40 247.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopropyl-N2-propyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-propyl…

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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) 1.20 7.8 -31.4 3 2 1 30 245.39 4 ↓
Mid Mid (pH 6-8) 1.20 8.09 -116.26 4 2 2 32 246.398 4 ↓

Analogs

20260246
20260246
20260364
20260364

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopropyl-N2-propyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-propyl…

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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) 1.20 7.66 -32.16 3 2 1 30 245.39 4 ↓
Mid Mid (pH 6-8) 1.20 7.98 -118.2 4 2 2 32 246.398 4 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopropyl-6-methoxy-N2-propyl-tetralin-1,2-diamine (1S,2R)-N2-cyclopropyl-6-methoxy…

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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) 1.23 7.3 -123.44 4 3 2 41 276.424 5 ↓
Hi High (pH 8-9.5) 1.23 5.52 -41.49 3 3 1 40 275.416 5 ↓
Mid Mid (pH 6-8) 1.23 6.99 -33.83 3 3 1 40 275.416 5 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopropyl-6-methoxy-N2-propyl-tetralin-1,2-diamine (1S,2S)-N2-cyclopropyl-6-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.23 7.28 -122.68 4 3 2 41 276.424 5 ↓
Hi High (pH 8-9.5) 1.23 5.49 -42.79 3 3 1 40 275.416 5 ↓
Mid Mid (pH 6-8) 1.23 6.96 -34.63 3 3 1 40 275.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(cyclopropylamino)tetralin-2-yl]methanol [(2R)-2-(cyclopropylamino)tetral…

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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) 2.20 4.72 -33.4 3 2 1 37 218.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(cyclopropylamino)tetralin-2-yl]methanol [(2S)-2-(cyclopropylamino)tetral…

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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) 2.20 4.8 -33.88 3 2 1 37 218.32 3 ↓

Parameters Provided:

ring.id = 135487
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 = 135487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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