UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-1-[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(6R)-6-methyl6,7,8,9-tet…

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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) 2.53 9.99 -49.8 1 5 -1 76 339.415 2 ↓

Analogs

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Popular Name: (3R)-1-[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-3-carboxylic (3R)-1-[(6S)-6-methyl6,7,8,9-tet…

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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) 2.53 9.99 -49.85 1 5 -1 76 339.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(6R)-6-methyl6,7,8,9-tet…

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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) 2.53 10.02 -55.19 1 5 -1 76 339.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-3-carboxylic (3S)-1-[(6S)-6-methyl6,7,8,9-tet…

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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) 2.53 10.02 -55.24 1 5 -1 76 339.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylic (3R)-1-(6,7,8,9-tetrahydro-5H-ca…

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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) 2.30 9.36 -49.72 1 5 -1 76 325.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylic (3S)-1-(6,7,8,9-tetrahydro-5H-ca…

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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) 2.30 9.41 -54.95 1 5 -1 76 325.388 2 ↓

Analogs

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Popular Name: 1-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-4-carboxylic 1-(6,7,8,9-tetrahydro-5H-carbazo…

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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) 2.30 9.45 -52.25 1 5 -1 76 325.388 2 ↓

Analogs

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Popular Name: [(2R)-2-ethyl-1-piperidyl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone [(2R)-2-ethyl-1-piperidyl]-(6,7,…

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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) 4.05 10.06 -10.5 1 3 0 36 310.441 2 ↓

Analogs

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Popular Name: [(2S)-2-ethyl-1-piperidyl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone [(2S)-2-ethyl-1-piperidyl]-(6,7,…

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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) 4.05 10.03 -10.8 1 3 0 36 310.441 2 ↓

Analogs

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Popular Name: [(3S,4R)-3-ethyl-4-hydroxy-4-methyl-1-piperidyl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone [(3S,4R)-3-ethyl-4-hydroxy-4-met…

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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) 3.46 7.41 -10.35 2 4 0 56 340.467 2 ↓

Parameters Provided:

ring.id = 89984
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 = 89984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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