UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11991225
11991225
5183113
5183113
5183115
5183115

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 4.60 1.23 -16.31 1 8 0 103 454.552 6 ↓

Analogs

5183113
5183113
5183115
5183115

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 4.60 1.23 -16.34 1 8 0 103 454.552 6 ↓

Analogs

5183215
5183215

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.80 -0.08 -23.76 1 8 0 103 398.444 5 ↓

Analogs

1331958
1331958
1331965
1331965

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)acetamide N-(4-dimethylaminophenyl)-2-(4-o…

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) 2.75 -1.16 -16.95 1 7 0 80 383.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]a N-(2,3-dichlorophenyl)-2-[(7S)-4…

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) 4.38 -0.94 -12.61 1 6 0 76 423.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[(7R)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]a N-(2,3-dichlorophenyl)-2-[(7R)-4…

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) 4.38 -0.96 -12.59 1 6 0 76 423.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)acetamide N-(2,5-dimethylphenyl)-2-(4-keto…

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) 3.48 -0.35 -16.27 1 6 0 76 368.462 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)-N-mesityl-acetamide 2-(4-keto-5,6,7,8-tetrahydrobenz…

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) 2.92 -0.06 -15.23 1 6 0 76 382.489 3 ↓

Analogs

5183221
5183221

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)acetyl]amino]benzoic-acid-methyl-e 2-[[2-(4-keto-5,6,7,8-tetrahydro…

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) 2.95 0.32 -15.63 1 8 0 103 398.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(2,6-diethylpheny 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.25 1.27 -13.38 1 6 0 76 452.624 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(2,6-diethylpheny 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.25 1.27 -13.45 1 6 0 76 452.624 6 ↓

Analogs

4342337
4342337

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-o-cumenyl-acetami 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.44 1.18 -14.32 1 6 0 76 438.597 5 ↓

Analogs

4342337
4342337

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-o-cumenyl-acetami 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.44 1.18 -14.34 1 6 0 76 438.597 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-[3-(trifluorometh 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.32 2.27 -13.93 1 6 0 76 464.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-[3-(trifluorometh 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.32 2.27 -13.96 1 6 0 76 464.513 5 ↓

Analogs

9004839
9004839
9004840
9004840
1321019
1321019
1321020
1321020

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(4-butylphenyl)ac 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 6.32 0.79 -14.72 1 6 0 76 452.624 7 ↓

Analogs

9004839
9004839
9004840
9004840

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(4-butylphenyl)ac 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 6.32 0.79 -14.72 1 6 0 76 452.624 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(3-chloro-2-methy 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.48 0.46 -13.59 1 6 0 76 444.988 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(3-chloro-2-methy 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.48 0.46 -13.62 1 6 0 76 444.988 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(2,6-diisopropylp 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.50 2.08 -13.62 1 6 0 76 480.678 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(2,6-diisopropylp 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.50 2.08 -13.72 1 6 0 76 480.678 6 ↓

Analogs

1321027
1321027
1321028
1321028

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(2,5-dichlorophen 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.74 -0.06 -13.16 1 6 0 76 465.406 4 ↓

Analogs

1321027
1321027
1321028
1321028

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(2,5-dichlorophen 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.74 -0.05 -13.15 1 6 0 76 465.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-[2-(trifluorometh 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.30 2.5 -12.82 1 6 0 76 464.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-[2-(trifluorometh 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.30 2.5 -12.88 1 6 0 76 464.513 5 ↓

Analogs

4367831
4367831

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(3-chloro-4-metho 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.12 -0.01 -18.4 1 7 0 86 460.987 5 ↓

Analogs

4367831
4367831

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(3-chloro-4-metho 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.12 -0.01 -18.46 1 7 0 86 460.987 5 ↓

Analogs

646330
646330

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-mesityl-acetamide 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 4.72 10.87 -14.52 1 6 0 77 438.597 4 ↓

Analogs

646330
646330

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-mesityl-acetamide 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 4.72 10.87 -14.57 1 6 0 77 438.597 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(5-chloro-2-methy 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.51 10 -16.68 1 6 0 77 444.988 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(5-chloro-2-methy 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.51 10 -16.7 1 6 0 77 444.988 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(3,4-dichlorophen 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.74 -0.21 -16.23 1 6 0 76 465.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]-N-(3,4-dichlorophen 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.74 -0.21 -16.27 1 6 0 76 465.406 4 ↓

Analogs

8844167
8844167
8844168
8844168
9206819
9206819
9206822
9206822

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]acetyl]amino]ben 2-[[2-[(7S)-7-tert-butyl-4-keto-…

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) 4.76 1.61 -14.71 1 8 0 103 454.552 6 ↓

Analogs

8844167
8844167
8844168
8844168
9206819
9206819
9206822
9206822

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]acetyl]amino]ben 2-[[2-[(7R)-7-tert-butyl-4-keto-…

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) 4.76 1.61 -14.68 1 8 0 103 454.552 6 ↓

Parameters Provided:

ring.id = 36095
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 = 36095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=36095&filter.purchasability=annotated

Embed Link to Results