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

Analogs

36156801
36156801
36157078
36157078
36157081
36157081
36159324
36159324
36159329
36159329

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isobutyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothi 2-[[[(2S)-3-(2-furylmethoxy)-2-h…

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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) 3.14 8.32 -57.02 3 7 1 93 446.593 10 ↓
Hi High (pH 8-9.5) 3.60 6.08 -52.08 2 7 0 96 445.585 10 ↓
Hi High (pH 8-9.5) 3.14 7.04 -16.94 2 7 0 92 445.585 10 ↓

Analogs

36157078
36157078
36157081
36157081
36159324
36159324
36159329
36159329
36159376
36159376

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isobutyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothi 2-[[[(2R)-3-(2-furylmethoxy)-2-h…

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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) 3.14 8.01 -56.52 3 7 1 93 446.593 10 ↓
Hi High (pH 8-9.5) 3.60 5.68 -51.27 2 7 0 96 445.585 10 ↓
Hi High (pH 8-9.5) 3.14 7.25 -17.46 2 7 0 92 445.585 10 ↓

Analogs

36156953
36156953

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzoth 2-[[[(2S)-3-(2-furylmethoxy)-2-h…

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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) 2.69 7.82 -56.22 3 7 1 93 432.566 9 ↓
Hi High (pH 8-9.5) 3.15 5.01 -53.22 2 7 0 96 431.558 9 ↓

Analogs

36156949
36156949

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzoth 2-[[[(2R)-3-(2-furylmethoxy)-2-h…

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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) 2.69 7.45 -56.04 3 7 1 93 432.566 9 ↓
Hi High (pH 8-9.5) 3.15 4.89 -52.66 2 7 0 96 431.558 9 ↓

Analogs

36157081
36157081
36159324
36159324
36159329
36159329
36159376
36159376
36159379
36159379

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H- 2-[[[(2S)-3-(2-furylmethoxy)-2-h…

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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) 2.28 7.37 -59.58 3 8 1 102 462.592 12 ↓
Hi High (pH 8-9.5) 2.28 5.07 -19.02 2 8 0 101 461.584 12 ↓
Hi High (pH 8-9.5) 2.73 4.7 -52.6 2 8 0 105 461.584 12 ↓

Analogs

36159324
36159324
36159329
36159329
36159376
36159376
36159379
36159379
36156798
36156798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H- 2-[[[(2R)-3-(2-furylmethoxy)-2-h…

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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) 2.28 7.15 -58.31 3 8 1 102 462.592 12 ↓
Hi High (pH 8-9.5) 2.28 4.84 -19.26 2 8 0 101 461.584 12 ↓
Hi High (pH 8-9.5) 2.73 4.62 -47.87 2 8 0 105 461.584 12 ↓

Analogs

36159329
36159329
36159376
36159376
36159379
36159379
36156798
36156798
36156801
36156801

Draw Identity 99% 90% 80% 70%

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

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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) 2.90 8.31 -58.42 3 7 1 93 432.566 10 ↓
Hi High (pH 8-9.5) 3.36 5.63 -52.66 2 7 0 96 431.558 10 ↓

Analogs

36159376
36159376
36159379
36159379
36156798
36156798
36156801
36156801
36157078
36157078

Draw Identity 99% 90% 80% 70%

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

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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) 2.90 8.08 -55.2 3 7 1 93 432.566 10 ↓
Hi High (pH 8-9.5) 3.36 5.55 -45.21 2 7 0 96 431.558 10 ↓

Analogs

36159379
36159379
36156798
36156798
36156801
36156801
36157078
36157078
36157081
36157081

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isopentyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzoth 2-[[[(2S)-3-(2-furylmethoxy)-2-h…

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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) 3.67 9.64 -59.38 3 7 1 93 460.62 11 ↓
Hi High (pH 8-9.5) 4.13 6.96 -52.64 2 7 0 96 459.612 11 ↓
Hi High (pH 8-9.5) 3.67 7.29 -17.24 2 7 0 92 459.612 11 ↓

Analogs

36156798
36156798
36156801
36156801
36157078
36157078
36157081
36157081
36159324
36159324

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isopentyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzoth 2-[[[(2R)-3-(2-furylmethoxy)-2-h…

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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) 3.67 9.37 -56.5 3 7 1 93 460.62 11 ↓
Hi High (pH 8-9.5) 4.13 6.83 -45.38 2 7 0 96 459.612 11 ↓
Hi High (pH 8-9.5) 3.67 7.03 -18.43 2 7 0 92 459.612 11 ↓

Analogs

36159434
36159434

Draw Identity 99% 90% 80% 70%

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

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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 8.17 -54.82 3 7 1 93 430.55 10 ↓
Hi High (pH 8-9.5) 3.12 5.42 -52.1 2 7 0 96 429.542 10 ↓

Analogs

36159429
36159429

Draw Identity 99% 90% 80% 70%

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

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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 7.9 -55.21 3 7 1 93 430.55 10 ↓
Hi High (pH 8-9.5) 3.12 5.34 -45.18 2 7 0 96 429.542 10 ↓

Analogs

36161506
36161506

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isopropyl-amino]methyl]-7-methyl-5,6,7,8-tetrahy (7R)-2-[[[(2S)-3-(2-furylmethoxy…

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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) 3.17 8.38 -55.3 3 7 1 93 446.593 9 ↓
Hi High (pH 8-9.5) 3.63 6.29 -51.41 2 7 0 96 445.585 9 ↓
Hi High (pH 8-9.5) 3.17 6.17 -16.59 2 7 0 92 445.585 9 ↓

Analogs

36161502
36161502

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isopropyl-amino]methyl]-7-methyl-5,6,7,8-tetrahy (7S)-2-[[[(2S)-3-(2-furylmethoxy…

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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) 3.17 8.03 -55.38 3 7 1 93 446.593 9 ↓
Hi High (pH 8-9.5) 3.63 5.41 -50.94 2 7 0 96 445.585 9 ↓
Hi High (pH 8-9.5) 3.17 6.21 -17.81 2 7 0 92 445.585 9 ↓

Analogs

36161546
36161546
36208082
36208082
36208083
36208083

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8- (7R)-2-[[[(2S)-3-(2-furylmethoxy…

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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) 2.75 7.89 -58.89 3 8 1 102 476.619 12 ↓
Hi High (pH 8-9.5) 2.75 5.64 -18.45 2 8 0 101 475.611 12 ↓
Hi High (pH 8-9.5) 3.21 5.52 -52.86 2 8 0 105 475.611 12 ↓

Analogs

36208082
36208082
36208083
36208083
36161542
36161542

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8- (7S)-2-[[[(2S)-3-(2-furylmethoxy…

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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) 2.75 7.56 -59.22 3 8 1 102 476.619 12 ↓
Hi High (pH 8-9.5) 2.75 5.4 -18.48 2 8 0 101 475.611 12 ↓
Hi High (pH 8-9.5) 3.21 4.92 -51.55 2 8 0 105 475.611 12 ↓

Parameters Provided:

ring.id = 76129
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 = 76129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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