UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pleuromulin Pleuromulin

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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) 2.80 5.65 -16.93 2 5 0 84 378.509 4 ↓

Analogs

22049292
22049292
22049297
22049297
22049302
22049302
22049307
22049307

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Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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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) 3.47 8.94 -15.07 4 8 0 131 478.659 6 ↓

Analogs

22049292
22049292
22049297
22049297
22049302
22049302
22049307
22049307

Draw Identity 99% 90% 80% 70%

Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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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) 3.47 9.11 -15.4 4 8 0 131 478.659 6 ↓

Analogs

22049292
22049292
22049297
22049297
22049302
22049302
22049307
22049307

Draw Identity 99% 90% 80% 70%

Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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) 3.47 10.56 -12.88 4 8 0 131 478.659 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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) 3.47 9.97 -13.63 4 8 0 131 478.659 6 ↓

Analogs

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Popular Name: 224452-66-8; Altabax (TN); D05720; Retapamulin (USAN/INN) 224452-66-8; Altabax (TN); D0572…

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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) 4.75 12.16 -40.05 2 5 1 68 518.784 6 ↓

Analogs

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Popular Name: (hydroxy-trimethyl-oxo-vinyl-BLAHyl) (hydroxy-trimethyl-oxo-vinyl-BLA…

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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) 4.50 13.11 -39.42 2 5 1 68 480.735 10 ↓
Hi High (pH 8-9.5) 4.50 10.97 -8.95 1 5 0 67 479.727 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (hydroxy-trimethyl-oxo-vinyl-BLAHyl) (hydroxy-trimethyl-oxo-vinyl-BLA…

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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) 4.50 12.45 -41.1 2 5 1 68 480.735 10 ↓
Hi High (pH 8-9.5) 4.50 10.31 -9.31 1 5 0 67 479.727 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (hydroxy-trimethyl-oxo-vinyl-BLAHyl) (hydroxy-trimethyl-oxo-vinyl-BLA…

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) 4.50 13.12 -39.16 2 5 1 68 480.735 10 ↓
Hi High (pH 8-9.5) 4.50 10.99 -7.4 1 5 0 67 479.727 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (hydroxy-trimethyl-oxo-vinyl-BLAHyl) (hydroxy-trimethyl-oxo-vinyl-BLA…

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) 4.50 12.23 -42.27 2 5 1 68 480.735 10 ↓
Hi High (pH 8-9.5) 4.50 10.1 -9.54 1 5 0 67 479.727 10 ↓

Analogs

38601506
38601506
38601508
38601508
38601510
38601510

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Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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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) 3.03 6.18 -12.35 2 5 0 84 380.525 4 ↓

Analogs

38601508
38601508
38601510
38601510
38601504
38601504

Draw Identity 99% 90% 80% 70%

Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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) 3.03 5.8 -14.79 2 5 0 84 380.525 4 ↓

Analogs

38601510
38601510
38601504
38601504
38601506
38601506

Draw Identity 99% 90% 80% 70%

Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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) 3.03 5.79 -15.84 2 5 0 84 380.525 4 ↓

Analogs

38601504
38601504
38601506
38601506
38601508
38601508

Draw Identity 99% 90% 80% 70%

Popular Name: (ethyl-hydroxy-tetramethyl-oxo-BLAHyl) (ethyl-hydroxy-tetramethyl-oxo-B…

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) 3.03 5.84 -10.98 2 5 0 84 380.525 4 ↓

Parameters Provided:

ring.id = 20194
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 = 20194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=20194&filter.purchasability=annotated

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