UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[2-(4-fluorophenyl)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) 5.41 12.93 -13.3 0 5 0 48 468.528 4 ↓
Lo Low (pH 4.5-6) 5.41 15.8 -59.99 1 5 1 49 469.536 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2 (7Z)-3-[2-(3,4-dimethoxyphenyl)e…

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) 4.89 12.06 -16.34 0 7 0 66 510.59 6 ↓
Mid Mid (pH 6-8) 4.89 14.92 -61.8 1 7 1 67 511.598 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][ (7Z)-3-[2-(4-methoxyphenyl)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) 5.30 12.16 -13.49 0 6 0 57 480.564 5 ↓
Mid Mid (pH 6-8) 5.30 15.03 -57.27 1 6 1 58 481.572 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[2-(4-chlorophenyl)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) 5.92 13.38 -12.56 0 5 0 48 484.983 4 ↓
Lo Low (pH 4.5-6) 5.92 16.25 -58.6 1 5 1 49 485.991 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2- (7Z)-3-[2-(2,4-dichlorophenyl)et…

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) 6.53 13.78 -13.02 0 5 0 48 519.428 4 ↓
Lo Low (pH 4.5-6) 6.53 16.65 -56.46 1 5 1 49 520.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[2-(2-chlorophenyl)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) 5.88 13.27 -12.68 0 5 0 48 484.983 4 ↓
Lo Low (pH 4.5-6) 5.88 16.14 -52.32 1 5 1 49 485.991 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][ (7Z)-3-[2-(2-methoxyphenyl)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) 5.25 12.22 -13.15 0 6 0 57 480.564 5 ↓
Lo Low (pH 4.5-6) 5.25 15.09 -51.49 1 6 1 58 481.572 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-[2-(4-fluorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-7-[(1-ethylindol-3-yl)methy…

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) 5.79 13.84 -12.95 0 5 0 48 482.555 5 ↓
Lo Low (pH 4.5-6) 5.79 16.72 -59.61 1 5 1 49 483.563 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-3-[2-(3,4-dimethoxyphenyl)e…

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) 5.27 12.97 -15.97 0 7 0 66 524.617 7 ↓
Mid Mid (pH 6-8) 5.27 15.84 -61.45 1 7 1 67 525.625 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-[(1-ethylindol-3-yl)methy…

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) 5.68 13.07 -13.14 0 6 0 57 494.591 6 ↓
Mid Mid (pH 6-8) 5.68 15.95 -56.95 1 6 1 58 495.599 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-3-[2-(4-chlorophenyl)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) 6.30 14.29 -12.19 0 5 0 48 499.01 5 ↓
Lo Low (pH 4.5-6) 6.30 17.17 -58.29 1 5 1 49 500.018 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-3-[2-(2-chlorophenyl)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) 6.25 14.18 -12.35 0 5 0 48 499.01 5 ↓
Lo Low (pH 4.5-6) 6.25 17.06 -52.01 1 5 1 49 500.018 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-[(1-ethylindol-3-yl)methy…

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) 5.63 13.13 -12.74 0 6 0 57 494.591 6 ↓
Lo Low (pH 4.5-6) 5.63 16.02 -51.12 1 6 1 58 495.599 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofu (7Z)-3-[2-(4-fluorophenyl)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) 5.44 12.22 -15.2 0 6 0 57 498.554 5 ↓
Lo Low (pH 4.5-6) 5.44 15.1 -61.92 1 6 1 58 499.562 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrof (7Z)-7-[(5-methoxy-1-methyl-indo…

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) 5.34 11.45 -15.47 0 7 0 66 510.59 6 ↓
Mid Mid (pH 6-8) 5.34 14.33 -59.26 1 7 1 67 511.598 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofu (7Z)-3-[2-(4-chlorophenyl)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) 5.96 12.67 -14.53 0 6 0 57 515.009 5 ↓
Lo Low (pH 4.5-6) 5.96 15.55 -60.63 1 6 1 58 516.017 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofu (7Z)-3-[2-(2-chlorophenyl)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) 5.91 12.56 -14.66 0 6 0 57 515.009 5 ↓
Lo Low (pH 4.5-6) 5.91 15.44 -54.3 1 6 1 58 516.017 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrof (7Z)-7-[(5-methoxy-1-methyl-indo…

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) 5.29 11.51 -15.13 0 7 0 66 510.59 6 ↓
Lo Low (pH 4.5-6) 5.29 14.4 -53.36 1 7 1 67 511.598 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-[2-(4-fluorophenyl)ethyl]-9-methyl-2,4-dihydrofur (7Z)-7-[(1-ethyl-5-methoxy-indol…

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) 5.82 13.13 -14.85 0 6 0 57 512.581 6 ↓
Lo Low (pH 4.5-6) 5.82 16.01 -61.47 1 6 1 58 513.589 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofu (7Z)-7-[(1-ethyl-5-methoxy-indol…

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) 5.71 12.36 -15.03 0 7 0 66 524.617 7 ↓
Mid Mid (pH 6-8) 5.71 15.24 -58.8 1 7 1 67 525.625 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofur (7Z)-3-[2-(4-chlorophenyl)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) 6.33 13.58 -14.09 0 6 0 57 529.036 6 ↓
Lo Low (pH 4.5-6) 6.33 16.46 -60.19 1 6 1 58 530.044 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofur (7Z)-3-[2-(2-chlorophenyl)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) 6.29 13.47 -14.26 0 6 0 57 529.036 6 ↓
Lo Low (pH 4.5-6) 6.29 16.36 -53.88 1 6 1 58 530.044 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofu (7Z)-7-[(1-ethyl-5-methoxy-indol…

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) 5.66 12.42 -14.71 0 7 0 66 524.617 7 ↓
Lo Low (pH 4.5-6) 5.66 15.31 -53.03 1 7 1 67 525.625 7 ↓

Parameters Provided:

ring.id = 551063
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 = 551063 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=551063&filter.purchasability=annotated

Embed Link to Results