UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37787435
37787435
37787440
37787440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aS,8aR)-decalin-2-yl]-1,3,5-trimethyl-pyrazol-4-amine N-[(2R,4aS,8aR)-decalin-2-yl]-1,…

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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) 4.10 7.6 -5.18 1 3 0 30 261.413 2 ↓
Mid Mid (pH 6-8) 4.10 7.72 -25.67 2 3 1 31 262.421 2 ↓

Analogs

37787435
37787435
37787440
37787440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,8aR)-decalin-2-yl]-1,3,5-trimethyl-pyrazol-4-amine N-[(2S,4aS,8aR)-decalin-2-yl]-1,…

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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) 4.10 7.59 -5.16 1 3 0 30 261.413 2 ↓
Mid Mid (pH 6-8) 4.10 7.71 -25.47 2 3 1 31 262.421 2 ↓

Analogs

37787435
37787435
37787440
37787440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,8aR)-decalin-2-yl]-1,3,5-trimethyl-pyrazol-4-amine N-[(2R,4aR,8aR)-decalin-2-yl]-1,…

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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) 4.10 7.94 -5.28 1 3 0 30 261.413 2 ↓
Mid Mid (pH 6-8) 4.10 8.06 -25.28 2 3 1 31 262.421 2 ↓

Analogs

37787435
37787435
37787440
37787440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,8aR)-decalin-2-yl]-1,3,5-trimethyl-pyrazol-4-amine N-[(2S,4aR,8aR)-decalin-2-yl]-1,…

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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) 4.10 8.11 -4.75 1 3 0 30 261.413 2 ↓
Mid Mid (pH 6-8) 4.10 8.24 -25.85 2 3 1 31 262.421 2 ↓

Analogs

37787029
37787029
37787034
37787034
37787036
37787036
37787170
37787170
37787171
37787171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2R,4aS,8aR)-decalin-2-yl]amino]pyrazol-1-yl]acetamide 2-[4-[[(2R,4aS,8aR)-decalin-2-yl…

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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) 2.38 3.6 -13.93 3 5 0 73 276.384 4 ↓
Lo Low (pH 4.5-6) 2.38 3.7 -49.83 4 5 1 78 277.392 4 ↓

Analogs

37787029
37787029
37787034
37787034
37787036
37787036
37787170
37787170
37787171
37787171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2S,4aS,8aR)-decalin-2-yl]amino]pyrazol-1-yl]acetamide 2-[4-[[(2S,4aS,8aR)-decalin-2-yl…

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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) 2.38 3.6 -14.06 3 5 0 73 276.384 4 ↓
Lo Low (pH 4.5-6) 2.38 3.69 -48.97 4 5 1 78 277.392 4 ↓

Analogs

37787029
37787029
37787034
37787034
37787036
37787036
37787170
37787170
37787171
37787171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2R,4aR,8aR)-decalin-2-yl]amino]pyrazol-1-yl]acetamide 2-[4-[[(2R,4aR,8aR)-decalin-2-yl…

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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) 2.38 3.96 -13.91 3 5 0 73 276.384 4 ↓
Lo Low (pH 4.5-6) 2.38 4.05 -49.23 4 5 1 78 277.392 4 ↓

Analogs

37787029
37787029
37787034
37787034
37787036
37787036
37787170
37787170
37787171
37787171

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2S,4aR,8aR)-decalin-2-yl]amino]pyrazol-1-yl]acetamide 2-[4-[[(2S,4aR,8aR)-decalin-2-yl…

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) 2.38 4.26 -13.65 3 5 0 73 276.384 4 ↓
Lo Low (pH 4.5-6) 2.38 4.21 -46.07 4 5 1 78 277.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aS,8aR)-decalin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2R,4aS,8aR)-decalin-2-yl]-1-…

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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) 3.64 6.41 -4.35 1 4 0 39 277.412 5 ↓
Lo Low (pH 4.5-6) 3.64 6.5 -42.11 2 4 1 44 278.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,8aR)-decalin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2S,4aS,8aR)-decalin-2-yl]-1-…

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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) 3.64 6.4 -4.4 1 4 0 39 277.412 5 ↓
Lo Low (pH 4.5-6) 3.64 6.49 -41.8 2 4 1 44 278.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,8aR)-decalin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2R,4aR,8aR)-decalin-2-yl]-1-…

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) 3.64 6.76 -4.4 1 4 0 39 277.412 5 ↓
Lo Low (pH 4.5-6) 3.64 6.86 -41.5 2 4 1 44 278.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,8aR)-decalin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(2S,4aR,8aR)-decalin-2-yl]-1-…

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) 3.64 7.06 -4.2 1 4 0 39 277.412 5 ↓
Lo Low (pH 4.5-6) 3.64 7.02 -40.02 2 4 1 44 278.42 5 ↓

Parameters Provided:

ring.id = 550346
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 = 550346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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