UCSF
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Analogs

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Popular Name: (5R)-N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-cyclohexyl-6,7,8,9-tetrah…

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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) 3.97 10.45 -33.4 2 1 1 17 244.402 2 ↓

Analogs

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Popular Name: (5S)-N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-cyclohexyl-6,7,8,9-tetrah…

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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) 3.97 9.79 -38.76 2 1 1 17 244.402 2 ↓

Analogs

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Popular Name: (9R)-N-[(1S,2R)-2-methylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S,2R)-2-methylcyclohex…

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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) 4.21 10.52 -37.91 2 1 1 17 258.429 2 ↓

Analogs

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Popular Name: (9R)-N-[(1S,2S)-2-methylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S,2S)-2-methylcyclohex…

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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) 4.21 10.88 -31.68 2 1 1 17 258.429 2 ↓

Analogs

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Popular Name: (9R)-N-[(1R,2R)-2-methylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R,2R)-2-methylcyclohex…

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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) 4.21 10.22 -36.73 2 1 1 17 258.429 2 ↓

Analogs

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Popular Name: (9R)-N-[(1R,2S)-2-methylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R,2S)-2-methylcyclohex…

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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) 4.21 11.07 -32.7 2 1 1 17 258.429 2 ↓

Analogs

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Popular Name: (9R)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S,2R,4R)-2,4-dimethylc…

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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) 4.22 10.94 -29.66 2 1 1 17 272.456 2 ↓

Analogs

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Popular Name: (9R)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S,2R,4S)-2,4-dimethylc…

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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) 4.22 11.21 -32.22 2 1 1 17 272.456 2 ↓

Analogs

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Popular Name: (9R)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R,2R,4R)-2,4-dimethylc…

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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) 4.22 11.66 -31.25 2 1 1 17 272.456 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R,2R,4S)-2,4-dimethylc…

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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) 4.22 11.44 -31.25 2 1 1 17 272.456 2 ↓

Analogs

5785135
5785135
5202725
5202725

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic (5R)-5-(cyclohexylamino)-6,7,8,9…

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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) 4.19 9.37 -28.88 2 3 0 57 287.403 3 ↓

Analogs

5785135
5785135
5202725
5202725

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic (5S)-5-(cyclohexylamino)-6,7,8,9…

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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) 4.19 9.98 -28.87 2 3 0 57 287.403 3 ↓

Parameters Provided:

ring.id = 54242
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 = 54242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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