UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35498518
35498518

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Popular Name: (2S)-1-benzyloxy-3-[(1-benzylpyrrol-2-yl)methyl-(cyclohexylmethyl)amino]propan-2-ol (2S)-1-benzyloxy-3-[(1-benzylpyr…

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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) 5.78 15.13 -42.73 2 4 1 39 447.643 12 ↓

Analogs

35498516
35498516

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Popular Name: (2R)-1-benzyloxy-3-[(1-benzylpyrrol-2-yl)methyl-(cyclohexylmethyl)amino]propan-2-ol (2R)-1-benzyloxy-3-[(1-benzylpyr…

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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) 5.78 14.79 -41.93 2 4 1 39 447.643 12 ↓

Analogs

35498749
35498749

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Popular Name: (2R)-1-benzyloxy-3-[cyclohexylmethyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-o (2R)-1-benzyloxy-3-[cyclohexylme…

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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) 5.94 15.19 -50.08 2 4 1 39 465.633 12 ↓

Analogs

35498747
35498747

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Popular Name: (2S)-1-benzyloxy-3-[cyclohexylmethyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-o (2S)-1-benzyloxy-3-[cyclohexylme…

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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) 5.94 15.21 -47.03 2 4 1 39 465.633 12 ↓

Analogs

35499203
35499203

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Popular Name: (2R)-1-benzyloxy-3-[cyclohexylmethyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-o (2R)-1-benzyloxy-3-[cyclohexylme…

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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) 5.92 14.86 -47.56 2 4 1 39 465.633 12 ↓

Analogs

35499201
35499201

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Popular Name: (2S)-1-benzyloxy-3-[cyclohexylmethyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-o (2S)-1-benzyloxy-3-[cyclohexylme…

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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) 5.92 15.19 -48.44 2 4 1 39 465.633 12 ↓

Analogs

35499308
35499308

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Popular Name: (2S)-1-benzyloxy-3-[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2- (2S)-1-benzyloxy-3-[cyclohexylme…

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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) 5.81 14.2 -43.76 2 5 1 48 477.669 13 ↓

Analogs

35499306
35499306

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Popular Name: (2R)-1-benzyloxy-3-[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2- (2R)-1-benzyloxy-3-[cyclohexylme…

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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) 5.81 14.74 -39.94 2 5 1 48 477.669 13 ↓

Parameters Provided:

ring.id = 17719
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 = 17719 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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