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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017676
35017676
35017678
35017678
35017680
35017680

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[2-(3-fluorophenyl)ethyl]decalin-2-amine (2R,4aS,8aR)-N-[2-(3-fluoropheny…

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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) 4.86 10.45 -46.4 2 1 1 17 276.419 4 ↓

Analogs

35017678
35017678
35017680
35017680
35017674
35017674

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[2-(3-fluorophenyl)ethyl]decalin-2-amine (2S,4aS,8aR)-N-[2-(3-fluoropheny…

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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) 4.86 10.45 -45.84 2 1 1 17 276.419 4 ↓

Analogs

35017680
35017680
35017674
35017674
35017676
35017676

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aR,8aR)-N-[2-(3-fluorophenyl)ethyl]decalin-2-amine (2R,4aR,8aR)-N-[2-(3-fluoropheny…

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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) 4.86 10.8 -45.53 2 1 1 17 276.419 4 ↓

Analogs

35017674
35017674
35017676
35017676
35017678
35017678

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,8aR)-N-[2-(3-fluorophenyl)ethyl]decalin-2-amine (2S,4aR,8aR)-N-[2-(3-fluoropheny…

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) 4.86 11.03 -44.79 2 1 1 17 276.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]decalin-2-amine (2R,4aS,8aR)-N-[(1S)-2-(3-chloro…

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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) 5.70 11.47 -40.05 2 1 1 17 306.901 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1R)-2-(3-chlorophenyl)-1-methyl-ethyl]decalin-2-amine (2R,4aS,8aR)-N-[(1R)-2-(3-chloro…

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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) 5.70 11.43 -37.6 2 1 1 17 306.901 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]decalin-2-amine (2S,4aS,8aR)-N-[(1S)-2-(3-chloro…

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) 5.70 11.41 -39.84 2 1 1 17 306.901 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1R)-2-(3-chlorophenyl)-1-methyl-ethyl]decalin-2-amine (2S,4aS,8aR)-N-[(1R)-2-(3-chloro…

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) 5.70 11.45 -37.23 2 1 1 17 306.901 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1S)-2-(4-bromophenyl)-1-methyl-ethyl]decalin-2-amine (2R,4aS,8aR)-N-[(1S)-2-(4-bromop…

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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) 5.86 11.58 -40.42 2 1 1 17 351.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1R)-2-(4-bromophenyl)-1-methyl-ethyl]decalin-2-amine (2R,4aS,8aR)-N-[(1R)-2-(4-bromop…

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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) 5.86 11.53 -40.57 2 1 1 17 351.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1S)-2-(4-bromophenyl)-1-methyl-ethyl]decalin-2-amine (2S,4aS,8aR)-N-[(1S)-2-(4-bromop…

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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) 5.86 11.53 -40.18 2 1 1 17 351.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1R)-2-(4-bromophenyl)-1-methyl-ethyl]decalin-2-amine (2S,4aS,8aR)-N-[(1R)-2-(4-bromop…

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) 5.86 11.55 -40.07 2 1 1 17 351.352 4 ↓

Parameters Provided:

ring.id = 15079
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 = 15079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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