UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37809423
37809423
37809424
37809424
37809425
37809425
37809426
37809426
37809509
37809509

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aR)-N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aR)-N-cyclopropyl-N-(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) 1.97 3.43 -35.5 3 4 1 57 253.366 4 ↓

Analogs

37809204
37809204
37809205
37809205
37809206
37809206
37809207
37809207
37809346
37809346

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-cyclopropyl-N-(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) 1.97 3.48 -32.97 3 4 1 57 253.366 4 ↓

Analogs

37809423
37809423
37809424
37809424
37809425
37809425
37809426
37809426
37809509
37809509

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aR)-N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aR)-N-cyclopropyl-N-(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) 1.97 3.67 -36.35 3 4 1 57 253.366 4 ↓

Analogs

37809423
37809423
37809424
37809424
37809425
37809425
37809426
37809426
37809509
37809509

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-cyclopropyl-N-(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) 1.97 3.41 -35.04 3 4 1 57 253.366 4 ↓

Analogs

13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-cyclopropyl-N-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-cyclopropyl-N-eth…

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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) 2.98 6.38 -36.68 2 3 1 37 237.367 3 ↓

Analogs

37806693
37806693
37806694
37806694
37806695
37806695
37806696
37806696
13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-cyclopropyl-N-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-cyclopropyl-N-eth…

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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) 2.98 6.36 -32.55 2 3 1 37 237.367 3 ↓

Analogs

13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-cyclopropyl-N-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-cyclopropyl-N-eth…

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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) 2.98 6.22 -35.68 2 3 1 37 237.367 3 ↓

Analogs

13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-cyclopropyl-N-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-cyclopropyl-N-eth…

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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) 2.98 6.28 -34.71 2 3 1 37 237.367 3 ↓

Analogs

37807003
37807003
37807004
37807004
37807005
37807005
37807006
37807006
37810292
37810292

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-cyclopropyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-cyclopropyl-N-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) 2.60 5.67 -37.2 2 3 1 37 223.34 2 ↓

Analogs

13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-cyclopropyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-cyclopropyl-N-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) 2.60 5.55 -33.69 2 3 1 37 223.34 2 ↓

Analogs

37807003
37807003
37807004
37807004
37807005
37807005
37807006
37807006
37810292
37810292

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-cyclopropyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-cyclopropyl-N-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) 2.60 5.5 -36.3 2 3 1 37 223.34 2 ↓

Analogs

37806693
37806693
37806694
37806694
37806695
37806695
37806696
37806696
37807003
37807003

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-cyclopropyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-cyclopropyl-N-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) 2.60 5.45 -35.74 2 3 1 37 223.34 2 ↓

Analogs

37806693
37806693
37806694
37806694
37806695
37806695
37806696
37806696
37807003
37807003

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-cyclopropyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-cyclopropyl-N-pro…

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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) 3.48 7.16 -36.98 2 3 1 37 251.394 4 ↓

Analogs

37807003
37807003
37807004
37807004
37807005
37807005
37807006
37807006
37810292
37810292

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-cyclopropyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-cyclopropyl-N-pro…

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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) 3.48 7.2 -33.09 2 3 1 37 251.394 4 ↓

Analogs

37806693
37806693
37806694
37806694
37806695
37806695
37806696
37806696
13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-cyclopropyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-cyclopropyl-N-pro…

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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) 3.48 6.99 -35.99 2 3 1 37 251.394 4 ↓

Analogs

37806693
37806693
37806694
37806694
37806695
37806695
37806696
37806696
13756427
13756427

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-cyclopropyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-cyclopropyl-N-pro…

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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) 3.48 7.1 -35.27 2 3 1 37 251.394 4 ↓

Analogs

36200081
36200081
36200083
36200083
36200085
36200085
36200087
36200087
36136831
36136831

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-cyclopropyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-cyclopropyl-N-(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) 2.59 6.14 -36.68 2 4 1 46 267.393 5 ↓

Analogs

36200081
36200081
36200083
36200083
36200085
36200085
36200087
36200087
36136831
36136831

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-cyclopropyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-cyclopropyl-N-(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) 2.59 6.29 -33.09 2 4 1 46 267.393 5 ↓

Analogs

36200081
36200081
36200083
36200083
36200085
36200085
36200087
36200087
36136831
36136831

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-cyclopropyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-cyclopropyl-N-(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) 2.59 5.79 -36.36 2 4 1 46 267.393 5 ↓

Analogs

36200081
36200081
36200083
36200083
36200085
36200085
36200087
36200087
36136831
36136831

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-cyclopropyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-cyclopropyl-N-(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) 2.59 6.19 -35.31 2 4 1 46 267.393 5 ↓

Analogs

58517560
58517560
59484701
59484701
59484705
59484705
59484707
59484707
59484709
59484709

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.84 7.73 -41.66 2 5 1 63 295.403 6 ↓
Hi High (pH 8-9.5) 2.84 6.68 -12.03 1 5 0 59 294.395 6 ↓

Analogs

58517560
58517560
59484701
59484701
59484705
59484705
59484707
59484707
59484709
59484709

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.84 7.73 -35.89 2 5 1 63 295.403 6 ↓
Hi High (pH 8-9.5) 2.84 6.48 -9.92 1 5 0 59 294.395 6 ↓

Analogs

58517560
58517560
59484701
59484701
59484705
59484705
59484707
59484707
59484709
59484709

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.84 7.73 -39.26 2 5 1 63 295.403 6 ↓
Hi High (pH 8-9.5) 2.84 6.58 -11.99 1 5 0 59 294.395 6 ↓

Analogs

58517560
58517560
59484701
59484701
59484705
59484705
59484707
59484707
59484709
59484709

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.84 7.62 -37.93 2 5 1 63 295.403 6 ↓
Hi High (pH 8-9.5) 2.84 6.32 -10.29 1 5 0 59 294.395 6 ↓

Parameters Provided:

ring.id = 65973
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 = 65973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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