UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 0.24 2.09 -52.65 2 9 1 103 339.42 9 ↓

Analogs

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Popular Name: (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1-butyltetrazol-5-yl)me…

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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) 0.66 6.96 -53.99 1 7 0 88 267.333 6 ↓
Hi High (pH 8-9.5) 0.66 4.62 -47.29 0 7 -1 87 266.325 6 ↓

Analogs

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Popular Name: (3S)-1-[(1-butyltetrazol-5-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1-butyltetrazol-5-yl)me…

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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) 0.66 7 -56.12 1 7 0 88 267.333 6 ↓
Hi High (pH 8-9.5) 0.66 4.59 -45.76 0 7 -1 87 266.325 6 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1-propyltetraz…

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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) 0.10 6.23 -54.47 1 7 0 88 253.306 5 ↓
Hi High (pH 8-9.5) 0.10 3.72 -46.94 0 7 -1 87 252.298 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(1-propyltetraz…

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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) 0.10 6.22 -55.74 1 7 0 88 253.306 5 ↓
Hi High (pH 8-9.5) 0.10 3.8 -45.79 0 7 -1 87 252.298 5 ↓

Analogs

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Popular Name: (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(1-butyltetrazol-5-yl)me…

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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) 0.99 7.55 -52.19 1 7 0 88 281.36 7 ↓
Hi High (pH 8-9.5) 0.99 5.13 -49.23 0 7 -1 87 280.352 7 ↓

Analogs

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Popular Name: (3S)-1-[(1-butyltetrazol-5-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(1-butyltetrazol-5-yl)me…

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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) 0.99 7.49 -51.81 1 7 0 88 281.36 7 ↓
Hi High (pH 8-9.5) 0.99 5.02 -47.52 0 7 -1 87 280.352 7 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-propyltetrazo…

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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) 0.43 6.78 -52.06 1 7 0 88 267.333 6 ↓
Hi High (pH 8-9.5) 0.43 4.34 -49.41 0 7 -1 87 266.325 6 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-propyltetrazo…

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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) 0.43 6.7 -54.8 1 7 0 88 267.333 6 ↓
Hi High (pH 8-9.5) 0.43 4.28 -44.85 0 7 -1 87 266.325 6 ↓

Analogs

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Popular Name: (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1-butyltetrazol-5-yl)me…

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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) 1.55 8.39 -55.66 1 7 0 88 295.387 8 ↓
Hi High (pH 8-9.5) 1.55 5.92 -49.46 0 7 -1 87 294.379 8 ↓

Analogs

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Popular Name: (3S)-1-[(1-butyltetrazol-5-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-butyltetrazol-5-yl)me…

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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) 1.55 8.25 -51.82 1 7 0 88 295.387 8 ↓
Hi High (pH 8-9.5) 1.55 5.78 -47.95 0 7 -1 87 294.379 8 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[(1-propyltetraz…

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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) 0.99 7.45 -49.1 1 7 0 88 281.36 7 ↓
Hi High (pH 8-9.5) 0.99 4.94 -47.78 0 7 -1 87 280.352 7 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[(1-propyltetraz…

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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) 0.99 7.39 -55.01 1 7 0 88 281.36 7 ↓
Hi High (pH 8-9.5) 0.99 4.88 -45.98 0 7 -1 87 280.352 7 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[(1-propyltetraz…

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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) -0.40 3.53 -42.48 2 7 1 77 253.33 5 ↓
Hi High (pH 8-9.5) -0.40 1.43 -11.82 1 7 0 76 252.322 5 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[(1-propyltetraz…

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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) -0.40 3.45 -45.16 2 7 1 77 253.33 5 ↓
Hi High (pH 8-9.5) -0.40 1.65 -14.64 1 7 0 76 252.322 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(1-butyltetrazol-5-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(1-butyltetrazol-5-yl)me…

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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) 0.16 4.31 -42.62 2 7 1 77 267.357 6 ↓
Hi High (pH 8-9.5) 0.16 2.21 -11.59 1 7 0 76 266.349 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1-butyltetrazol-5-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(1-butyltetrazol-5-yl)me…

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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) 0.16 4.24 -45.61 2 7 1 77 267.357 6 ↓
Hi High (pH 8-9.5) 0.16 2.43 -14.45 1 7 0 76 266.349 6 ↓

Parameters Provided:

ring.id = 9355
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 = 9355 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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