UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-[2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-[(1-cyclopropyltetrazol…

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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) 1.94 8.85 -56.41 0 6 -1 84 301.351 6 ↓

Analogs

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Popular Name: (E)-3-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(1-cyclopropyltetrazol…

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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) 2.17 9.01 -52.66 0 6 -1 84 301.351 6 ↓

Analogs

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Popular Name: (E)-3-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(1-cyclopropyltetrazol…

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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) 2.15 9 -53.26 0 6 -1 84 301.351 6 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-phenyl-ethanamine (2R)-2-(1-cyclopropyltetrazol-5-…

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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) 1.97 6.95 -40.17 2 5 1 60 276.389 6 ↓
Hi High (pH 8-9.5) 1.97 5.61 -7.85 1 5 0 56 275.381 6 ↓

Analogs

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Popular Name: (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-phenyl-ethanamine (2S)-2-(1-cyclopropyltetrazol-5-…

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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) 1.97 6.89 -40.37 2 5 1 60 276.389 6 ↓
Hi High (pH 8-9.5) 1.97 5.6 -8.53 1 5 0 56 275.381 6 ↓

Analogs

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Popular Name: 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-ethoxy-aniline 3-[(1-cyclopropyltetrazol-5-yl)s…

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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) 1.63 5.31 -10.07 2 6 0 79 291.38 6 ↓

Analogs

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Popular Name: (3R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenyl-propan-1-amine (3R)-3-(1-cyclopropyltetrazol-5-…

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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) 1.26 5.75 -58.05 3 5 1 71 276.389 6 ↓

Analogs

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Popular Name: (3S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenyl-propan-1-amine (3S)-3-(1-cyclopropyltetrazol-5-…

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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) 1.26 5.75 -57.96 3 5 1 71 276.389 6 ↓

Analogs

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Popular Name: (3R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenyl-propanenitrile (3R)-3-(1-cyclopropyltetrazol-5-…

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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) 1.64 8.11 -13.86 0 5 0 67 271.349 5 ↓

Analogs

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Popular Name: (3S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenyl-propanenitrile (3S)-3-(1-cyclopropyltetrazol-5-…

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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) 1.64 8.11 -13.86 0 5 0 67 271.349 5 ↓

Analogs

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Popular Name: (3R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N'-hydroxy-3-phenyl-propanamidine (3R)-3-(1-cyclopropyltetrazol-5-…

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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) 1.47 4.69 -11.19 3 7 0 102 304.379 6 ↓

Analogs

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Popular Name: (3S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N'-hydroxy-3-phenyl-propanamidine (3S)-3-(1-cyclopropyltetrazol-5-…

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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) 1.47 4.64 -11.44 3 7 0 102 304.379 6 ↓

Analogs

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Popular Name: (3R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenyl-propanamidine (3R)-3-(1-cyclopropyltetrazol-5-…

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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) 1.54 5.25 -48.32 4 6 1 95 289.388 6 ↓

Analogs

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Popular Name: (3S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenyl-propanamidine (3S)-3-(1-cyclopropyltetrazol-5-…

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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) 1.54 5.25 -48.23 4 6 1 95 289.388 6 ↓

Analogs

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Popular Name: 3-amino-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzamide 3-amino-4-[(1-cyclopropyltetrazo…

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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 1.89 -14.83 4 7 0 113 290.352 5 ↓

Analogs

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Popular Name: 2-amino-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenol 2-amino-4-[(1-cyclopropyltetrazo…

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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) 1.39 2.29 -9.93 3 6 0 90 263.326 4 ↓

Analogs

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Popular Name: 4-amino-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenol 4-amino-2-[(1-cyclopropyltetrazo…

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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) 1.19 2.23 -10.67 3 6 0 90 263.326 4 ↓

Analogs

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Popular Name: 1-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-hydroxy-phenyl]ethanone 1-[3-[(1-cyclopropyltetrazol-5-y…

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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) 2.01 4.88 -15.23 1 6 0 81 290.348 5 ↓
Hi High (pH 8-9.5) 2.01 5.58 -42.62 0 6 -1 84 289.34 5 ↓

Analogs

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Popular Name: 1-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-fluoro-2-hydroxy-phenyl]ethanone 1-[3-[(1-cyclopropyltetrazol-5-y…

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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) 1.90 6.23 -13.19 1 6 0 81 308.338 5 ↓
Mid Mid (pH 6-8) 1.90 7.24 -46.36 0 6 -1 84 307.33 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-5-[(5-fluoro-2-nitro-phenyl)methylsulfanyl]tetrazole 1-cyclopropyl-5-[(5-fluoro-2-nit…

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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) 2.25 7.81 -12.09 0 7 0 89 295.299 5 ↓

Parameters Provided:

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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 = 2060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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