UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[[(5S,8R,9R,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetr (6Z)-6-[[[(5S,8R,9R,10S,13S,14R,…

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) 6.07 11.3 -14.67 2 4 0 66 439.64 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[[(5S,8R,9R,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetr (6Z)-6-[[[(5S,8R,9R,10S,13S,14R,…

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) 6.07 11 -15.32 2 4 0 66 439.64 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[[(5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetr (6Z)-6-[[[(5S,8R,9R,10S,13S,14S,…

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) 6.07 10.89 -16.43 2 4 0 66 439.64 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,…

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) 6.84 10.21 -41.96 3 4 1 64 519.544 4 ↓
Hi High (pH 8-9.5) 6.84 11.91 -13.63 2 4 0 66 518.536 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,…

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) 6.84 9.9 -44.88 3 4 1 64 519.544 4 ↓
Hi High (pH 8-9.5) 6.84 11.61 -14.17 2 4 0 66 518.536 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,…

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) 6.84 9.74 -39.81 3 4 1 64 519.544 4 ↓
Hi High (pH 8-9.5) 6.84 11.43 -13.48 2 4 0 66 518.536 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5S,8R,9R,10S,…

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) 6.84 9.79 -45.58 3 4 1 64 519.544 4 ↓
Hi High (pH 8-9.5) 6.84 11.5 -15.46 2 4 0 66 518.536 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-2,4-dichloro-6-[[[(5R,8R,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12, (6Z)-2,4-dichloro-6-[[[(5R,8R,9S…

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) 7.52 10.55 -45.31 3 3 1 54 479.512 3 ↓
Hi High (pH 8-9.5) 7.52 10.41 -35.35 1 3 -1 56 477.496 3 ↓
Mid Mid (pH 6-8) 7.52 12.04 -14.89 2 3 0 57 478.504 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-2,4-dichloro-6-[[[(5S,8R,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12, (6Z)-2,4-dichloro-6-[[[(5S,8R,9S…

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) 7.52 10.43 -46.46 3 3 1 54 479.512 3 ↓
Hi High (pH 8-9.5) 7.52 10.27 -35.36 1 3 -1 56 477.496 3 ↓
Mid Mid (pH 6-8) 7.52 11.9 -15.24 2 3 0 57 478.504 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-2,4-dichloro-6-[[[(5R,8S,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12, (6Z)-2,4-dichloro-6-[[[(5R,8S,9S…

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) 7.52 10.51 -45.25 3 3 1 54 479.512 3 ↓
Hi High (pH 8-9.5) 7.52 10.42 -35.41 1 3 -1 56 477.496 3 ↓
Mid Mid (pH 6-8) 7.52 12.03 -13.61 2 3 0 57 478.504 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-2,4-dichloro-6-[[[(5S,8S,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12, (6Z)-2,4-dichloro-6-[[[(5S,8S,9S…

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) 7.52 10.12 -45.01 3 3 1 54 479.512 3 ↓
Hi High (pH 8-9.5) 7.52 10 -35.53 1 3 -1 56 477.496 3 ↓
Mid Mid (pH 6-8) 7.52 11.63 -14.9 2 3 0 57 478.504 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5R,8R,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5R,8R,9S,10S,…

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) 7.25 10.12 -41.61 3 3 1 54 489.518 3 ↓
Hi High (pH 8-9.5) 7.25 11.62 -12.82 2 3 0 57 488.51 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5S,8R,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5S,8R,9S,10S,…

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) 7.25 9.99 -42.6 3 3 1 54 489.518 3 ↓
Hi High (pH 8-9.5) 7.25 11.49 -13.15 2 3 0 57 488.51 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5R,8S,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5R,8S,9S,10S,…

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) 7.25 10.06 -41.57 3 3 1 54 489.518 3 ↓
Hi High (pH 8-9.5) 7.25 11.61 -11.53 2 3 0 57 488.51 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-4-bromo-6-[[[(5S,8S,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15 (6Z)-4-bromo-6-[[[(5S,8S,9S,10S,…

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) 7.25 9.65 -41.3 3 3 1 54 489.518 3 ↓
Hi High (pH 8-9.5) 7.25 11.21 -12.75 2 3 0 57 488.51 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8R,9S,10R,13R,14R,17R)-17-[[(2-hydroxy-3-methoxy-phenyl)methyleneamino]methyl]-10,13-dimethyl-1, (5R,8R,9S,10R,13R,14R,17R)-17-[[…

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) 6.07 9.4 -38.08 3 4 1 64 440.648 4 ↓
Hi High (pH 8-9.5) 6.07 11.15 -14.78 2 4 0 66 439.64 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8R,9S,10R,13R,14R,17R)-17-[[(3,5-dichloro-2-hydroxy-phenyl)methyleneamino]methyl]-10,13-dimethyl (5R,8R,9S,10R,13R,14R,17R)-17-[[…

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) 7.52 10.58 -42.19 3 3 1 54 479.512 3 ↓
Mid Mid (pH 6-8) 7.52 12.08 -13.02 2 3 0 57 478.504 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8R,9S,10R,13R,14R,17R)-17-[[(5-bromo-2-hydroxy-phenyl)methyleneamino]methyl]-10,13-dimethyl-1,2, (5R,8R,9S,10R,13R,14R,17R)-17-[[…

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) 7.26 10.13 -39.01 3 3 1 54 489.518 3 ↓
Hi High (pH 8-9.5) 7.26 11.66 -11.15 2 3 0 57 488.51 3 ↓

Parameters Provided:

ring.id = 194904
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 = 194904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=194904&filter.purchasability=annotated

Embed Link to Results