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

Analogs

36156716
36156716
36156726
36156726
36156728
36156728

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2R)-2-hydroxy-3-isopropoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophe 2-[[cyclopropyl-[(2R)-2-hydroxy-…

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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) 2.27 7.79 -50.5 3 6 1 80 392.545 8 ↓
Hi High (pH 8-9.5) 2.73 5.09 -47.82 2 6 0 83 391.537 8 ↓
Hi High (pH 8-9.5) 2.27 5.66 -13.02 2 6 0 78 391.537 8 ↓

Analogs

36156726
36156726
36156728
36156728
36156714
36156714

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2S)-2-hydroxy-3-isopropoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophe 2-[[cyclopropyl-[(2S)-2-hydroxy-…

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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) 2.27 8.02 -49.16 3 6 1 80 392.545 8 ↓
Hi High (pH 8-9.5) 2.73 5.08 -50.31 2 6 0 83 391.537 8 ↓
Hi High (pH 8-9.5) 2.27 5.83 -13.23 2 6 0 78 391.537 8 ↓

Analogs

36156720
36156720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2S)-2-hydroxypentyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrim 2-[[cyclopropyl-[(2S)-2-hydroxyp…

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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) 2.99 8.22 -46.31 3 5 1 70 362.519 7 ↓
Hi High (pH 8-9.5) 3.44 5.27 -47.68 2 5 0 74 361.511 7 ↓
Hi High (pH 8-9.5) 2.99 6.05 -10.55 2 5 0 69 361.511 7 ↓

Analogs

36156718
36156718

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2R)-2-hydroxypentyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrim 2-[[cyclopropyl-[(2R)-2-hydroxyp…

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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) 2.99 8.37 -49.3 3 5 1 70 362.519 7 ↓
Hi High (pH 8-9.5) 3.44 5.61 -48.28 2 5 0 74 361.511 7 ↓
Hi High (pH 8-9.5) 2.99 5.99 -10.23 2 5 0 69 361.511 7 ↓

Analogs

36156723
36156723

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2R)-2-hydroxy-3-isobutoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophen 2-[[cyclopropyl-[(2R)-2-hydroxy-…

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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) 2.66 8.54 -50.41 3 6 1 80 406.572 9 ↓
Hi High (pH 8-9.5) 3.11 5.84 -47.69 2 6 0 83 405.564 9 ↓
Hi High (pH 8-9.5) 2.66 6.4 -12.81 2 6 0 78 405.564 9 ↓

Analogs

36156721
36156721

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2S)-2-hydroxy-3-isobutoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophen 2-[[cyclopropyl-[(2S)-2-hydroxy-…

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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) 2.66 8.76 -49.05 3 6 1 80 406.572 9 ↓
Hi High (pH 8-9.5) 3.11 5.83 -50.17 2 6 0 83 405.564 9 ↓
Hi High (pH 8-9.5) 2.66 6.57 -13.09 2 6 0 78 405.564 9 ↓

Analogs

36156728
36156728
36156714
36156714
36156716
36156716

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-tert-butoxy-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiop 2-[[[(2R)-3-tert-butoxy-2-hydrox…

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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) 2.72 8.18 -50.47 3 6 1 80 406.572 8 ↓
Hi High (pH 8-9.5) 3.18 5.47 -47.64 2 6 0 83 405.564 8 ↓
Hi High (pH 8-9.5) 2.72 6.04 -12.88 2 6 0 78 405.564 8 ↓

Analogs

36156714
36156714
36156716
36156716
36156726
36156726

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-tert-butoxy-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiop 2-[[[(2S)-3-tert-butoxy-2-hydrox…

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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) 2.72 8.4 -49.01 3 6 1 80 406.572 8 ↓
Hi High (pH 8-9.5) 3.18 5.47 -50.16 2 6 0 83 405.564 8 ↓
Hi High (pH 8-9.5) 2.72 6.21 -13.2 2 6 0 78 405.564 8 ↓

Analogs

36156732
36156732
36205082
36205082
36205086
36205086

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3-[cyclopropyl-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl]amino] [(2R)-3-[cyclopropyl-[(4-oxo-5,6…

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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) 2.54 9.49 -53.94 3 7 1 97 420.555 10 ↓
Hi High (pH 8-9.5) 3.00 6.8 -49.62 2 7 0 100 419.547 10 ↓
Hi High (pH 8-9.5) 2.54 7.35 -14.9 2 7 0 96 419.547 10 ↓

Analogs

36205082
36205082
36205086
36205086
36156730
36156730

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3-[cyclopropyl-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl]amino] [(2S)-3-[cyclopropyl-[(4-oxo-5,6…

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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) 2.54 9.71 -52.7 3 7 1 97 420.555 10 ↓
Hi High (pH 8-9.5) 3.00 6.79 -52.18 2 7 0 100 419.547 10 ↓
Hi High (pH 8-9.5) 2.54 7.53 -15.14 2 7 0 96 419.547 10 ↓

Analogs

36157008
36157008

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2S)-2-hydroxyhex-5-enyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]p 2-[[cyclopropyl-[(2S)-2-hydroxyh…

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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) 2.97 8.78 -47.03 3 5 1 70 374.53 8 ↓
Hi High (pH 8-9.5) 3.43 5.82 -47.98 2 5 0 74 373.522 8 ↓
Hi High (pH 8-9.5) 2.97 6.61 -10.62 2 5 0 69 373.522 8 ↓

Analogs

36157005
36157005

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2R)-2-hydroxyhex-5-enyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]p 2-[[cyclopropyl-[(2R)-2-hydroxyh…

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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) 2.97 8.93 -50.65 3 5 1 70 374.53 8 ↓
Hi High (pH 8-9.5) 3.43 6.16 -48.9 2 5 0 74 373.522 8 ↓
Hi High (pH 8-9.5) 2.97 6.56 -10.53 2 5 0 69 373.522 8 ↓

Analogs

36157014
36157014

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-allyloxy-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophen 2-[[[(2R)-3-allyloxy-2-hydroxy-p…

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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) 2.18 7.62 -51.23 3 6 1 80 390.529 9 ↓
Hi High (pH 8-9.5) 2.64 4.91 -48.54 2 6 0 83 389.521 9 ↓
Hi High (pH 8-9.5) 2.18 5.48 -13.32 2 6 0 78 389.521 9 ↓

Analogs

36157011
36157011

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-allyloxy-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophen 2-[[[(2S)-3-allyloxy-2-hydroxy-p…

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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) 2.18 7.84 -49.77 3 6 1 80 390.529 9 ↓
Hi High (pH 8-9.5) 2.64 4.91 -51.09 2 6 0 83 389.521 9 ↓
Hi High (pH 8-9.5) 2.18 5.65 -13.63 2 6 0 78 389.521 9 ↓

Analogs

36157020
36157020

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiop 2-[[cyclopropyl-[(2R)-2-hydroxy-…

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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) 1.69 7.59 -53.85 3 6 1 80 388.513 8 ↓
Hi High (pH 8-9.5) 2.15 4.89 -51.18 2 6 0 83 387.505 8 ↓
Hi High (pH 8-9.5) 1.69 5.45 -15.34 2 6 0 78 387.505 8 ↓

Analogs

36157017
36157017

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiop 2-[[cyclopropyl-[(2S)-2-hydroxy-…

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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) 1.69 7.81 -52.32 3 6 1 80 388.513 8 ↓
Hi High (pH 8-9.5) 2.15 4.88 -53.79 2 6 0 83 387.505 8 ↓
Hi High (pH 8-9.5) 1.69 5.62 -15.69 2 6 0 78 387.505 8 ↓

Analogs

36157025
36157025

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2R)-2-hydroxy-3-methoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[ 2-[[cyclopropyl-[(2R)-2-hydroxy-…

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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) 1.53 6.08 -50.54 3 6 1 80 364.491 7 ↓
Hi High (pH 8-9.5) 1.99 3.37 -48 2 6 0 83 363.483 7 ↓
Hi High (pH 8-9.5) 1.53 3.94 -13.23 2 6 0 78 363.483 7 ↓

Analogs

36157022
36157022

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclopropyl-[(2S)-2-hydroxy-3-methoxy-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[ 2-[[cyclopropyl-[(2S)-2-hydroxy-…

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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) 1.53 6.3 -49.4 3 6 1 80 364.491 7 ↓
Hi High (pH 8-9.5) 1.99 3.37 -50.6 2 6 0 83 363.483 7 ↓
Hi High (pH 8-9.5) 1.53 4.11 -13.55 2 6 0 78 363.483 7 ↓

Parameters Provided:

ring.id = 76096
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 = 76096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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