UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017394
35017394
35017396
35017396
35017398
35017398
78464279
78464279
78464286
78464286

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Popular Name: (2R,4aS,8aR)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]decalin-2-amine (2R,4aS,8aR)-N-[(1S)-2-methyl-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) 5.52 10.69 -33.89 2 1 1 17 292.512 4 ↓

Analogs

35017396
35017396
35017398
35017398
78464279
78464279
78464286
78464286
78464289
78464289

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]decalin-2-amine (2R,4aS,8aR)-N-[(1R)-2-methyl-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) 5.52 10.36 -35.35 2 1 1 17 292.512 4 ↓

Analogs

35017398
35017398
78464279
78464279
78464286
78464286
78464289
78464289
35017392
35017392

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]decalin-2-amine (2S,4aS,8aR)-N-[(1S)-2-methyl-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) 5.52 10.34 -34.88 2 1 1 17 292.512 4 ↓

Analogs

78464279
78464279
78464286
78464286
78464289
78464289
35017392
35017392
35017394
35017394

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]decalin-2-amine (2S,4aS,8aR)-N-[(1R)-2-methyl-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) 5.52 10.42 -35.48 2 1 1 17 292.512 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]decalin-2-amine (2R,4aS,8aR)-N-[(1S)-1-(5-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) 5.57 9.9 -39.63 2 1 1 17 298.903 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]decalin-2-amine (2R,4aS,8aR)-N-[(1R)-1-(5-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) 5.57 9.86 -39.37 2 1 1 17 298.903 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]decalin-2-amine (2S,4aS,8aR)-N-[(1S)-1-(5-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) 5.57 9.85 -38.87 2 1 1 17 298.903 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]decalin-2-amine (2S,4aS,8aR)-N-[(1R)-1-(5-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) 5.57 9.9 -39.09 2 1 1 17 298.903 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(2R,4aS,8aR)-decalin-2-yl]amino]-3-(2-thienyl)propanoic (3R)-3-[[(2R,4aS,8aR)-decalin-2-…

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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) 3.91 9.71 -43.71 2 3 0 57 307.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(2R,4aS,8aR)-decalin-2-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(2R,4aS,8aR)-decalin-2-…

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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) 3.91 10.02 -28.75 2 3 0 57 307.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(2S,4aS,8aR)-decalin-2-yl]amino]-3-(2-thienyl)propanoic (3R)-3-[[(2S,4aS,8aR)-decalin-2-…

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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) 3.91 10 -28.53 2 3 0 57 307.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(2S,4aS,8aR)-decalin-2-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(2S,4aS,8aR)-decalin-2-…

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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) 3.91 9.7 -44.4 2 3 0 57 307.459 5 ↓

Parameters Provided:

ring.id = 14963
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 = 14963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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