UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methyl-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide 4-methyl-N-[4-(2-oxo-2-phenothia…

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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) 7.35 15.14 -16.55 1 4 0 51 482.63 5 ↓

Analogs

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Popular Name: 2-methyl-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide 2-methyl-N-[4-(2-oxo-2-phenothia…

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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) 7.31 15.15 -15.93 1 4 0 51 482.63 5 ↓

Analogs

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Popular Name: 3-methyl-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide 3-methyl-N-[4-(2-oxo-2-phenothia…

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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) 7.33 15.13 -16.81 1 4 0 51 482.63 5 ↓

Analogs

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Popular Name: 2-fluoro-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide 2-fluoro-N-[4-(2-oxo-2-phenothia…

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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) 7.02 14.54 -20.29 1 4 0 51 486.593 5 ↓

Analogs

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Popular Name: 4-fluoro-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide 4-fluoro-N-[4-(2-oxo-2-phenothia…

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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) 7.07 14.55 -20.23 1 4 0 51 486.593 5 ↓

Analogs

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Popular Name: 2-methyl-N-[4-[(1R)-1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl]sulfanylphenyl]benzamide 2-methyl-N-[4-[(1R)-1-methyl-2-o…

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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) 7.67 15.43 -15.84 1 4 0 51 496.657 5 ↓

Analogs

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Popular Name: 2-methyl-N-[4-[(1S)-1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl]sulfanylphenyl]benzamide 2-methyl-N-[4-[(1S)-1-methyl-2-o…

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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) 7.67 15.43 -15.58 1 4 0 51 496.657 5 ↓

Analogs

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Popular Name: 3-methyl-N-[4-[(1R)-1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl]sulfanylphenyl]benzamide 3-methyl-N-[4-[(1R)-1-methyl-2-o…

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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) 7.69 15.42 -16.66 1 4 0 51 496.657 5 ↓

Analogs

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Popular Name: 3-methyl-N-[4-[(1S)-1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl]sulfanylphenyl]benzamide 3-methyl-N-[4-[(1S)-1-methyl-2-o…

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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) 7.69 15.42 -16.73 1 4 0 51 496.657 5 ↓

Analogs

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Popular Name: 4-methyl-N-[4-[(1R)-1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl]sulfanylphenyl]benzamide 4-methyl-N-[4-[(1R)-1-methyl-2-o…

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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) 7.72 15.44 -16.55 1 4 0 51 496.657 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[4-[(1S)-1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl]sulfanylphenyl]benzamide 4-methyl-N-[4-[(1S)-1-methyl-2-o…

Find On: PubMed — Wikipedia — Google

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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) 7.72 15.44 -16.5 1 4 0 51 496.657 5 ↓

Parameters Provided:

ring.id = 118577
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 = 118577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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