Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p27r95cmu61pdqtl6mntec4u94, 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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(10R)-8,10-bis(2-hydroxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]ethanone 1-[(10R)-8,10-bis(2-hydroxypheny…

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) 2.16 4.36 -48.16 4 6 1 90 380.468 2 ↓
Hi High (pH 8-9.5) 2.16 5.15 -57.04 3 6 0 93 379.46 2 ↓
Hi High (pH 8-9.5) 2.16 5.94 -75.02 2 6 -1 95 378.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(10S)-8,10-bis(2-hydroxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]ethanone 1-[(10S)-8,10-bis(2-hydroxypheny…

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) 2.16 4.35 -47.5 4 6 1 90 380.468 2 ↓
Hi High (pH 8-9.5) 2.16 5.14 -59.54 3 6 0 93 379.46 2 ↓
Hi High (pH 8-9.5) 2.16 5.93 -72.52 2 6 -1 95 378.452 2 ↓

Analogs

15830188
15830188
15830190
15830190
15830192
15830192
15830194
15830194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-9-benzyl-2-(2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-4-yl]-6-methoxy-phenol 2-[(4S)-9-benzyl-2-(2-hydroxyphe…

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) 3.80 9.18 -124.05 5 6 2 83 459.59 5 ↓
Hi High (pH 8-9.5) 3.80 9.88 -103.64 4 6 1 86 458.582 5 ↓
Hi High (pH 8-9.5) 3.80 8.18 -47.58 4 6 1 79 458.582 5 ↓

Analogs

15830188
15830188
15830190
15830190
15830192
15830192
15830194
15830194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-9-benzyl-2-(2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-4-yl]-6-methoxy-phenol 2-[(4R)-9-benzyl-2-(2-hydroxyphe…

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) 3.80 9.11 -123.3 5 6 2 83 459.59 5 ↓
Hi High (pH 8-9.5) 3.80 9.86 -97.77 4 6 1 86 458.582 5 ↓
Hi High (pH 8-9.5) 3.80 7.97 -45.56 4 6 1 79 458.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(10S)-10-(2-hydroxy-3-methoxy-phenyl)-8-(2-hydroxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl] 1-[(10S)-10-(2-hydroxy-3-methoxy…

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) 1.76 4.51 -47 4 7 1 99 410.494 3 ↓
Hi High (pH 8-9.5) 1.76 5.3 -57.77 3 7 0 102 409.486 3 ↓
Hi High (pH 8-9.5) 1.76 6.1 -73.87 2 7 -1 105 408.478 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(10R)-10-(2-hydroxy-3-methoxy-phenyl)-8-(2-hydroxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl] 1-[(10R)-10-(2-hydroxy-3-methoxy…

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) 1.76 4.48 -47.3 4 7 1 99 410.494 3 ↓
Hi High (pH 8-9.5) 1.76 5.27 -58.55 3 7 0 102 409.486 3 ↓
Hi High (pH 8-9.5) 1.76 6.08 -74.27 2 7 -1 105 408.478 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.31 7.45 -46.83 3 6 1 79 394.495 4 ↓
Hi High (pH 8-9.5) 3.31 8.23 -46.46 2 6 0 82 393.487 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.31 7.45 -46.6 3 6 1 79 394.495 4 ↓
Hi High (pH 8-9.5) 3.31 8.24 -44.24 2 6 0 82 393.487 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.02 7.28 -50.98 3 7 1 88 458.966 5 ↓
Hi High (pH 8-9.5) 4.02 8.07 -42.57 2 7 0 91 457.958 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.02 7.29 -51.02 3 7 1 88 458.966 5 ↓
Hi High (pH 8-9.5) 4.02 8.08 -42.5 2 7 0 91 457.958 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(10R)-10-(5-chloro-2-hydroxy-phenyl)-8-(4-methoxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]e 1-[(10R)-10-(5-chloro-2-hydroxy-…

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) 2.93 6.45 -52.11 3 6 1 79 428.94 3 ↓
Hi High (pH 8-9.5) 2.93 7.24 -45.79 2 6 0 82 427.932 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(10S)-10-(5-chloro-2-hydroxy-phenyl)-8-(4-methoxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]e 1-[(10S)-10-(5-chloro-2-hydroxy-…

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) 2.93 6.45 -52.65 3 6 1 79 428.94 3 ↓
Hi High (pH 8-9.5) 2.93 7.24 -45.97 2 6 0 82 427.932 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4R)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4R)-2-(4-methoxyp…

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) 5.24 8.46 -7.38 2 4 0 54 451.364 4 ↓
Hi High (pH 8-9.5) 5.24 9.22 -41.24 1 4 -1 57 450.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4S)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-2-(4-methoxyp…

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) 5.24 8.35 -7.6 2 4 0 54 451.364 4 ↓
Hi High (pH 8-9.5) 5.24 9.1 -41.95 1 4 -1 57 450.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4R)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-2-(4-methoxyp…

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) 5.24 8.23 -6.34 2 4 0 54 451.364 4 ↓
Hi High (pH 8-9.5) 5.24 8.99 -42.13 1 4 -1 57 450.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-2-(4-methoxyp…

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) 5.24 8.51 -7.74 2 4 0 54 451.364 4 ↓
Hi High (pH 8-9.5) 5.24 9.25 -40.45 1 4 -1 57 450.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2S,4R)-2-(4-chlorophenyl)-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) 5.06 9.93 -7.46 2 4 0 54 420.94 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2S,4S)-2-(4-chlorophenyl)-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) 5.06 9.7 -6.74 2 4 0 54 420.94 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2R,4R)-2-(4-chlorophenyl)-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) 5.06 9.82 -7.63 2 4 0 54 420.94 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2R,4S)-2-(4-chlorophenyl)-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) 5.06 9.96 -7.25 2 4 0 54 420.94 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4R)-2-(4-chlorop…

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) 5.73 9.57 -5.91 2 3 0 45 411.332 3 ↓
Hi High (pH 8-9.5) 5.73 10.33 -38.48 1 3 -1 47 410.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4S)-2-(4-chlorop…

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) 5.73 9.46 -5.91 2 3 0 45 411.332 3 ↓
Hi High (pH 8-9.5) 5.73 10.21 -38.69 1 3 -1 47 410.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4R)-2-(4-chlorop…

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) 5.73 9.34 -5.13 2 3 0 45 411.332 3 ↓
Hi High (pH 8-9.5) 5.73 10.1 -38.74 1 3 -1 47 410.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4S)-2-(4-chlorop…

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) 5.73 9.6 -6.21 2 3 0 45 411.332 3 ↓
Hi High (pH 8-9.5) 5.73 10.35 -37.76 1 3 -1 47 410.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4R)-2-(4-chloroph…

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) 5.86 9.68 -5.87 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.43 -38.4 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-2-(4-chloroph…

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) 5.86 9.56 -5.86 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.31 -38.55 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-2-(4-chloroph…

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) 5.86 9.44 -5.11 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.2 -38.64 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-2-(4-chloroph…

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) 5.86 9.71 -6.15 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.45 -37.74 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2S,4R)-2-(4-bromophenyl)-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) 5.86 9.68 -5.89 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.43 -38.42 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2S,4S)-2-(4-bromophenyl)-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) 5.86 9.57 -5.93 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.31 -38.65 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2R,4R)-2-(4-bromophenyl)-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) 5.86 9.44 -5.1 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.2 -38.74 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2R,4S)-2-(4-bromophenyl)-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) 5.86 9.71 -6.15 2 3 0 45 455.783 3 ↓
Hi High (pH 8-9.5) 5.86 10.45 -37.74 1 3 -1 47 454.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4R)-2-(4-bromophe…

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) 5.99 9.78 -5.86 2 3 0 45 500.234 3 ↓
Hi High (pH 8-9.5) 5.99 10.54 -38.3 1 3 -1 47 499.226 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-2-(4-bromophe…

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) 5.99 9.67 -5.82 2 3 0 45 500.234 3 ↓
Hi High (pH 8-9.5) 5.99 10.42 -38.53 1 3 -1 47 499.226 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-2-(4-bromophe…

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) 5.99 9.55 -5.07 2 3 0 45 500.234 3 ↓
Hi High (pH 8-9.5) 5.99 10.31 -38.62 1 3 -1 47 499.226 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-2-(4-bromophe…

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) 5.99 9.81 -6.17 2 3 0 45 500.234 3 ↓
Hi High (pH 8-9.5) 5.99 10.56 -37.63 1 3 -1 47 499.226 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4R)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4R)-2-(2-methoxy…

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) 4.39 9.28 -9.64 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4S)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4S)-2-(2-methoxy…

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) 4.39 8.97 -8.68 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4R)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4R)-2-(2-methoxy…

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) 4.39 9.09 -9.13 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4S)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4S)-2-(2-methoxy…

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) 4.39 9.33 -9.25 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4R)-6-(4-methoxyphenyl)-2…

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) 4.46 7.83 -7.11 2 4 0 54 372.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2R,4R)-6-(4-methoxyphenyl)-2…

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) 4.46 7.6 -6.59 2 4 0 54 372.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4S)-6-(4-methoxyphenyl)-2…

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) 4.46 7.73 -7.63 2 4 0 54 372.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2R,4S)-6-(4-methoxyphenyl)-2…

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) 4.46 7.86 -7.65 2 4 0 54 372.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4R)-6-(4-methoxy…

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) 4.43 8.71 -8.91 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4S)-6-(4-methoxy…

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) 4.43 8.48 -7.96 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4R)-6-(4-methoxy…

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) 4.43 8.6 -9.17 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4S)-6-(4-methoxy…

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) 4.43 8.74 -8.39 2 5 0 63 416.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4R)-6-(4-methoxy…

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) 5.11 8.36 -7.18 2 4 0 54 406.913 4 ↓
Hi High (pH 8-9.5) 5.11 9.11 -41.02 1 4 -1 57 405.905 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4R)-6-(4-methoxy…

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) 5.11 8.13 -6.47 2 4 0 54 406.913 4 ↓
Hi High (pH 8-9.5) 5.11 8.89 -41.31 1 4 -1 57 405.905 4 ↓

Parameters Provided:

ring.id = 12605
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 = 12605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12605&filter.purchasability=annotated

Embed Link to Results