Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6qd3tki60n7h143p2cvj2vknc4, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36156796
36156796
36157070
36157070
36157074
36157074
36159314
36159314
36159319
36159319

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.99 10.57 -55.93 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.45 7.27 -52.9 2 6 0 83 441.597 9 ↓
Hi High (pH 8-9.5) 3.99 8.89 -16.77 2 6 0 78 441.597 9 ↓

Analogs

36157070
36157070
36157074
36157074
36159314
36159314
36159319
36159319
36156794
36156794

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.99 10.3 -56.28 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.45 7.55 -52.86 2 6 0 83 441.597 9 ↓
Hi High (pH 8-9.5) 3.99 9.15 -16.54 2 6 0 78 441.597 9 ↓

Analogs

36156946
36156946

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.54 8.87 -55.67 3 6 1 80 428.578 8 ↓
Hi High (pH 8-9.5) 4.00 6.41 -52.44 2 6 0 83 427.57 8 ↓

Analogs

36156942
36156942

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.54 9.24 -55.25 3 6 1 80 428.578 8 ↓
Hi High (pH 8-9.5) 4.00 6.84 -52.19 2 6 0 83 427.57 8 ↓

Analogs

36156961
36156961

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.94 9.61 -55.11 3 6 1 80 442.605 8 ↓
Hi High (pH 8-9.5) 4.40 6.93 -51.13 2 6 0 83 441.597 8 ↓
Hi High (pH 8-9.5) 3.94 7.75 -16.39 2 6 0 78 441.597 8 ↓

Analogs

36156958
36156958

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.94 9.99 -55.98 3 6 1 80 442.605 8 ↓
Hi High (pH 8-9.5) 4.40 7.29 -51.94 2 6 0 83 441.597 8 ↓
Hi High (pH 8-9.5) 3.94 8.01 -16.24 2 6 0 78 441.597 8 ↓

Analogs

36157074
36157074
36159314
36159314
36159319
36159319
36160954
36160954
36160958
36160958

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.12 8.4 -59.77 3 7 1 89 458.604 11 ↓
Hi High (pH 8-9.5) 3.12 6.26 -17.38 2 7 0 88 457.596 11 ↓
Hi High (pH 8-9.5) 3.58 5.92 -53.26 2 7 0 92 457.596 11 ↓

Analogs

36159314
36159314
36159319
36159319
36160954
36160954
36160958
36160958
36156794
36156794

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.12 8.7 -59.08 3 7 1 89 458.604 11 ↓
Hi High (pH 8-9.5) 3.12 6.51 -16.84 2 7 0 88 457.596 11 ↓
Hi High (pH 8-9.5) 3.58 6.25 -52.07 2 7 0 92 457.596 11 ↓

Analogs

36157089
36157089
36159338
36159338
36159344
36159344

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.52 9.33 -58.11 3 7 1 89 472.631 11 ↓
Hi High (pH 8-9.5) 3.52 7.12 -16.1 2 7 0 88 471.623 11 ↓
Hi High (pH 8-9.5) 3.98 6.74 -47.29 2 7 0 92 471.623 11 ↓

Analogs

36159338
36159338
36159344
36159344
36157084
36157084

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.52 9.58 -59.3 3 7 1 89 472.631 11 ↓
Hi High (pH 8-9.5) 3.52 7.3 -16.76 2 7 0 88 471.623 11 ↓
Hi High (pH 8-9.5) 3.98 6.87 -51.21 2 7 0 92 471.623 11 ↓

Analogs

36159319
36159319
36160954
36160954
36160958
36160958
36156794
36156794
36156796
36156796

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.74 9.33 -58.39 3 6 1 80 428.578 9 ↓
Hi High (pH 8-9.5) 4.20 6.84 -52.33 2 6 0 83 427.57 9 ↓

Analogs

36160954
36160954
36160958
36160958
36156794
36156794
36156796
36156796
36157070
36157070

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.74 9.63 -56.26 3 6 1 80 428.578 9 ↓
Hi High (pH 8-9.5) 4.20 7.18 -51.52 2 6 0 83 427.57 9 ↓

Analogs

36159344
36159344
36157084
36157084
36157089
36157089

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.14 10.48 -58.04 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.60 7.8 -51.25 2 6 0 83 441.597 9 ↓

Analogs

36157084
36157084
36157089
36157089
36159338
36159338

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.14 10.25 -54.9 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.60 7.73 -44.5 2 6 0 83 441.597 9 ↓

Analogs

36159423
36159423

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.51 9.14 -56.32 3 6 1 80 426.562 9 ↓
Hi High (pH 8-9.5) 3.97 6.67 -49.37 2 6 0 83 425.554 9 ↓

Analogs

36159419
36159419

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.51 9.44 -56.27 3 6 1 80 426.562 9 ↓
Hi High (pH 8-9.5) 3.97 6.99 -51.47 2 6 0 83 425.554 9 ↓

Analogs

36159441
36159441

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.91 10.19 -56.29 3 6 1 80 440.589 9 ↓
Hi High (pH 8-9.5) 3.91 8.26 -14.49 2 6 0 78 439.581 9 ↓
Hi High (pH 8-9.5) 4.37 7.74 -51.28 2 6 0 83 439.581 9 ↓

Analogs

36159437
36159437

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.91 10.35 -54.53 3 6 1 80 440.589 9 ↓
Hi High (pH 8-9.5) 3.91 7.92 -13.96 2 6 0 78 439.581 9 ↓
Hi High (pH 8-9.5) 4.37 7.62 -50.62 2 6 0 83 439.581 9 ↓

Analogs

36160958
36160958
36157070
36157070
36157074
36157074
36159314
36159314
36159319
36159319

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.24 8.6 -57.29 3 6 1 80 414.551 8 ↓
Hi High (pH 8-9.5) 3.70 6.09 -51.29 2 6 0 83 413.543 8 ↓

Analogs

36157070
36157070
36157074
36157074
36159314
36159314
36159319
36159319
36160954
36160954

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.24 8.89 -55.44 3 6 1 80 414.551 8 ↓
Hi High (pH 8-9.5) 3.70 6.42 -50.71 2 6 0 83 413.543 8 ↓

Analogs

36161528
36161528
36208032
36208032
36208033
36208033

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8 (7R)-2-[[[(2S)-3-(4-chlorophenox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.27 9.5 -61.17 3 7 1 89 507.076 11 ↓
Hi High (pH 8-9.5) 4.27 7.35 -16.34 2 7 0 88 506.068 11 ↓
Hi High (pH 8-9.5) 4.73 6.87 -51.22 2 7 0 92 506.068 11 ↓

Analogs

36208032
36208032
36208033
36208033
36161524
36161524

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[[[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8 (7S)-2-[[[(2S)-3-(4-chlorophenox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.27 9.84 -60.76 3 7 1 89 507.076 11 ↓
Hi High (pH 8-9.5) 4.27 7.59 -16.31 2 7 0 88 506.068 11 ↓
Hi High (pH 8-9.5) 4.73 7.46 -52.91 2 7 0 92 506.068 11 ↓

Analogs

36161537
36161537
36208078
36208078
36208080
36208080

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.60 8.98 -58.99 3 7 1 89 472.631 11 ↓
Hi High (pH 8-9.5) 3.60 6.83 -16.52 2 7 0 88 471.623 11 ↓
Hi High (pH 8-9.5) 4.05 6.35 -50.06 2 7 0 92 471.623 11 ↓

Analogs

36208078
36208078
36208080
36208080
36161533
36161533

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.60 9.32 -58.59 3 7 1 89 472.631 11 ↓
Hi High (pH 8-9.5) 3.60 7.07 -16.43 2 7 0 88 471.623 11 ↓
Hi High (pH 8-9.5) 4.05 6.94 -51.53 2 7 0 92 471.623 11 ↓

Parameters Provided:

ring.id = 76128
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 = 76128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=76128&filter.purchasability=annotated

Embed Link to Results