Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t59ss0onff3dmer5eh25dujus6, 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: (4R)-2-(2-methoxyethyl)-1-oxo-N-[(1S)-1-phenylethyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carbo (4R)-2-(2-methoxyethyl)-1-oxo-N-…

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) 3.21 10.97 -15.99 1 5 0 59 406.526 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(2-methoxyethyl)-1-oxo-N-[(1R)-1-phenylethyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carbo (4R)-2-(2-methoxyethyl)-1-oxo-N-…

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) 3.21 10.98 -14.98 1 5 0 59 406.526 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(2-methoxyethyl)-1-oxo-N-[(1S)-1-phenylethyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carbo (4S)-2-(2-methoxyethyl)-1-oxo-N-…

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) 3.21 11.48 -19.08 1 5 0 59 406.526 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(2-methoxyethyl)-1-oxo-N-[(1R)-1-phenylethyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carbo (4S)-2-(2-methoxyethyl)-1-oxo-N-…

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) 3.21 11.48 -19.48 1 5 0 59 406.526 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-cyclohexen-1-ylethyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4- (4S)-N-(2-cyclohexen-1-ylethyl)-…

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) 3.63 10.7 -19.95 1 5 0 59 410.558 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2-cyclohexen-1-ylethyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4- (4R)-N-(2-cyclohexen-1-ylethyl)-…

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) 3.63 10.49 -15.45 1 5 0 59 410.558 7 ↓

Analogs

32101095
32101095
32101098
32101098

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-cyclopentyl-1-oxo-N-(2-pyridyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (4S)-2-cyclopentyl-1-oxo-N-(2-py…

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) 3.46 11.75 -18.21 1 5 0 62 389.499 3 ↓

Analogs

32101095
32101095
32101098
32101098

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-cyclopentyl-1-oxo-N-(2-pyridyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (4R)-2-cyclopentyl-1-oxo-N-(2-py…

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) 3.46 11.73 -17.51 1 5 0 62 389.499 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carb (4R)-2-cyclopentyl-N-[(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) 4.12 11.22 -13.45 1 5 0 59 432.564 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carb (4S)-2-cyclopentyl-N-[(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) 4.12 11.47 -13.61 1 5 0 59 432.564 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-car (4R)-2-cyclopentyl-N-[2-(4-metho…

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) 4.52 12 -16.79 1 5 0 59 446.591 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-car (4S)-2-cyclopentyl-N-[2-(4-metho…

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) 4.52 12.25 -16.33 1 5 0 59 446.591 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4- (4S)-N-[(3-fluorophenyl)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) 2.79 9.76 -19.3 1 5 0 59 410.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4- (4R)-N-[(3-fluorophenyl)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) 2.79 9.57 -16.56 1 5 0 59 410.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(2-methoxyethyl)-4-(thiomorpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-1-one (4S)-2-(2-methoxyethyl)-4-(thiom…

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) 1.88 9.5 -19.14 0 5 0 50 388.533 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(2-methoxyethyl)-4-(thiomorpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-1-one (4R)-2-(2-methoxyethyl)-4-(thiom…

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) 1.88 10.04 -17.33 0 5 0 50 388.533 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carb (4R)-2-(2-methoxyethyl)-N-(6-met…

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) 2.10 10.27 -19.39 1 6 0 72 393.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carb (4S)-2-(2-methoxyethyl)-N-(6-met…

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) 2.10 9.38 -14.16 1 6 0 72 393.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4- (4S)-N-[(2-fluorophenyl)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) 2.76 10.54 -16.27 1 5 0 59 410.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4- (4R)-N-[(2-fluorophenyl)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) 2.76 9.51 -17.41 1 5 0 59 410.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-1-one (4S)-2-(2-methoxyethyl)-4-(morph…

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) 1.34 7.26 -19.53 0 6 0 59 372.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-1-one (4R)-2-(2-methoxyethyl)-4-(morph…

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) 1.34 7.99 -17.61 0 6 0 59 372.465 4 ↓

Analogs

34565817
34565817

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4-ethyl-5-methyl-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopent (4R)-N-(4-ethyl-5-methyl-thiazol…

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) 3.02 10.39 -16.75 1 6 0 72 427.57 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(4-ethyl-5-methyl-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopent (4S)-N-(4-ethyl-5-methyl-thiazol…

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) 3.02 9.99 -14.95 1 6 0 72 427.57 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxami (4R)-N-(2-ethylphenyl)-2-(2-meth…

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) 3.81 11.61 -15.85 1 5 0 59 406.526 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxami (4S)-N-(2-ethylphenyl)-2-(2-meth…

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) 3.81 11.28 -15.07 1 5 0 59 406.526 6 ↓

Analogs

4563900
4563900
4563901
4563901
4563902
4563902
4563904
4563904

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(5-chloro-2-methoxy-phenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane] (4S)-N-(5-chloro-2-methoxy-pheny…

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) 3.61 10.33 -18.04 1 6 0 68 442.943 6 ↓

Analogs

4563900
4563900
4563901
4563901
4563902
4563902
4563904
4563904

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(5-chloro-2-methoxy-phenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane] (4R)-N-(5-chloro-2-methoxy-pheny…

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) 3.61 9.28 -16.41 1 6 0 68 442.943 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2-chloro-4-methyl-phenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]- (4R)-N-(2-chloro-4-methyl-phenyl…

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) 4.00 11.29 -13.58 1 5 0 59 426.944 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-chloro-4-methyl-phenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]- (4S)-N-(2-chloro-4-methyl-phenyl…

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) 4.00 10.92 -12.46 1 5 0 59 426.944 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(2-methoxyethyl)-N-(4-methyl-2-pyridyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carb (4R)-2-(2-methoxyethyl)-N-(4-met…

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) 2.45 10.37 -19.11 1 6 0 72 393.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(2-methoxyethyl)-N-(4-methyl-2-pyridyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carb (4S)-2-(2-methoxyethyl)-N-(4-met…

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) 2.45 10.22 -17.84 1 6 0 72 393.487 5 ↓

Parameters Provided:

ring.id = 171970
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 = 171970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=171970&filter.purchasability=annotated

Embed Link to Results