UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[4,5-e]py (4S)-1-(3,5-dimethylphenyl)-4-(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) 3.58 5.73 -15.1 2 6 0 80 377.444 3 ↓
Ref Reference (pH 7) 3.40 8.14 -14.61 2 6 0 76 377.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4R)-6-oxo-3-phenyl-1-(p-tolyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide 2-[4-[(4R)-6-oxo-3-phenyl-1-(p-t…

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) 3.68 7.72 -23.09 3 7 0 103 452.514 6 ↓
Ref Reference (pH 7) 3.50 10.18 -20.65 3 7 0 99 452.514 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4S)-6-oxo-3-phenyl-1-(p-tolyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide 2-[4-[(4S)-6-oxo-3-phenyl-1-(p-t…

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) 3.68 8.18 -23.89 3 7 0 103 452.514 6 ↓
Ref Reference (pH 7) 3.50 10.61 -23.2 3 7 0 99 452.514 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethyl-2-pyrimidinyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one 1-(4,6-dimethyl-2-pyrimidinyl)-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) 3.46 11.87 -20.43 2 8 0 102 455.518 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethyl-2-pyrimidinyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one 1-(4,6-dimethyl-2-pyrimidinyl)-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) 3.46 11.45 -16.34 2 8 0 102 455.518 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-5,7-dihydro-4H-pyr (4R)-1-(4-fluorophenyl)-4-[2-[(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) 4.69 10.82 -11.33 1 6 0 69 475.495 6 ↓
Ref Reference (pH 7) 4.50 13.24 -10.8 1 6 0 65 475.495 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-5,7-dihydro-4H-pyr (4S)-1-(4-fluorophenyl)-4-[2-[(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) 4.69 10.45 -11.77 1 6 0 69 475.495 6 ↓
Ref Reference (pH 7) 4.50 12.9 -10.79 1 6 0 65 475.495 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-fluorophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridi (4S)-1-(4,6-dimethylpyrimidin-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) 4.04 10.64 -17.23 1 6 0 76 413.456 3 ↓
Ref Reference (pH 7) 3.86 13.4 -14.07 1 6 0 73 413.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-fluorophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridi (4R)-1-(4,6-dimethylpyrimidin-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) 4.04 11.1 -18.01 1 6 0 76 413.456 3 ↓
Ref Reference (pH 7) 3.86 13.85 -14.89 1 6 0 73 413.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-3-methyl-1-(o-tolyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic 4-[(4R)-3-methyl-1-(o-tolyl)-6-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) 3.52 8.2 -54.85 1 6 -1 91 360.393 3 ↓
Ref Reference (pH 7) 3.33 10.85 -52.88 1 6 -1 87 360.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-3-methyl-1-(o-tolyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic 4-[(4S)-3-methyl-1-(o-tolyl)-6-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) 3.52 8.46 -59.65 1 6 -1 91 360.393 3 ↓
Ref Reference (pH 7) 3.33 11.06 -59.92 1 6 -1 87 360.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4S)-1-(4,6-dimethylpyrimidin-2-yl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl] 2-[4-[(4S)-1-(4,6-dimethylpyrimi…

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) 2.30 8.24 -30.81 3 10 0 138 498.543 7 ↓
Ref Reference (pH 7) 2.12 10.98 -27.83 3 10 0 134 498.543 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl] 2-[4-[(4R)-1-(4,6-dimethylpyrimi…

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) 2.30 7.78 -27.17 3 10 0 138 498.543 7 ↓
Ref Reference (pH 7) 2.12 10.56 -24.41 3 10 0 134 498.543 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-on (4S)-4-(2,4-dimethoxyphenyl)-1-(…

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) 4.54 7.67 -11.57 1 7 0 78 455.514 6 ↓
Ref Reference (pH 7) 4.36 10.14 -10.23 1 7 0 75 455.514 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-on (4R)-4-(2,4-dimethoxyphenyl)-1-(…

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) 4.54 8.07 -13.58 1 7 0 78 455.514 6 ↓
Ref Reference (pH 7) 4.36 10.5 -12.14 1 7 0 75 455.514 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-chloro-4-hydroxy-phenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-4-(3-chloro-4-hydroxy-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) 1.89 0.67 -10.32 2 5 0 71 277.711 1 ↓
Ref Reference (pH 7) 1.70 3.33 -10.87 2 5 0 67 277.711 1 ↓
Hi High (pH 8-9.5) 1.89 1.44 -47.35 1 5 -1 73 276.703 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-tert-butyl-4-(2,4-dichlorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-1-tert-butyl-4-(2,4-dichlor…

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) 3.97 6.22 -6.55 1 4 0 50 338.238 2 ↓
Ref Reference (pH 7) 3.78 8.72 -6.58 1 4 0 47 338.238 2 ↓

Analogs

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) 1.37 3.93 -13.11 1 7 0 86 315.329 5 ↓
Ref Reference (pH 7) 1.19 6.59 -13.21 1 7 0 82 315.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-benzyl-4-(3-chlorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-benzyl-4-(3-chlorophenyl)…

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) 3.75 7.37 -8.16 1 4 0 50 337.81 3 ↓
Ref Reference (pH 7) 3.56 10.03 -8.76 1 4 0 47 337.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-tert-butyl-4-(2,6-dichlorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-1-tert-butyl-4-(2,6-dichlor…

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 5.28 -6.97 1 4 0 50 338.238 2 ↓
Ref Reference (pH 7) 3.76 7.78 -7.5 1 4 0 47 338.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-[(2-chlorophenyl)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) 3.22 5.34 -9.6 2 5 0 71 353.809 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-[3-(4-chlorophenyl)-1H-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) 2.16 3.29 -9.79 2 6 0 79 327.775 2 ↓
Ref Reference (pH 7) 1.97 5.91 -10.78 2 6 0 76 327.775 2 ↓
Mid Mid (pH 6-8) 1.97 5.9 -11.45 2 6 0 76 327.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-benzyl-4-(1-methylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-benzyl-4-(1-methylpyrazol…

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) 1.47 4.67 -13.36 1 6 0 68 307.357 3 ↓
Ref Reference (pH 7) 1.29 7.35 -14.73 1 6 0 65 307.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-benzyl-4-(3-bromophenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-benzyl-4-(3-bromophenyl)-…

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) 3.88 7.47 -8.11 1 4 0 50 382.261 3 ↓
Ref Reference (pH 7) 3.69 10.13 -8.65 1 4 0 47 382.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2-chlorophenyl)methyl]-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-[(2-chlorophenyl)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) 3.76 6.58 -10.24 1 5 0 60 367.836 4 ↓
Ref Reference (pH 7) 3.57 9.25 -10.72 1 5 0 56 367.836 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3,5-dimethylisoxazol-4-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-(3,5-dimethylisoxazol-4-y…

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) 0.36 0.3 -12.74 1 6 0 76 246.27 1 ↓
Ref Reference (pH 7) 0.17 2.98 -13.83 1 6 0 73 246.27 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-tert-butyl-4-(3-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-tert-butyl-4-(3-hydroxyph…

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) 2.18 2.43 -9.83 2 5 0 71 285.347 2 ↓
Ref Reference (pH 7) 2.00 4.94 -10.06 2 5 0 67 285.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(1,3-dimethylpyrazol-4-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-(1,3-dimethylpyrazol-4-yl…

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) 0.10 1.31 -11.35 1 6 0 68 245.286 1 ↓
Ref Reference (pH 7) -0.09 3.97 -11.92 1 6 0 65 245.286 1 ↓

Parameters Provided:

ring.id = 12109
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 = 12109 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12109&filter.purchasability=annotated

Embed Link to Results