UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-fluoro-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 2.72 4.32 -4.68 1 3 0 24 264.344 4 ↓
Mid Mid (pH 6-8) 2.72 6.55 -42.54 2 3 1 26 265.352 4 ↓

Analogs

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Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-fluoro-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 2.72 4.46 -4.39 1 3 0 24 264.344 4 ↓
Mid Mid (pH 6-8) 2.72 6.55 -43.86 2 3 1 26 265.352 4 ↓

Analogs

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Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-bromo-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.31 4.97 -3.7 1 3 0 24 325.25 4 ↓
Mid Mid (pH 6-8) 3.31 7.2 -38.83 2 3 1 26 326.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-bromo-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.31 5.11 -3.44 1 3 0 24 325.25 4 ↓
Mid Mid (pH 6-8) 3.31 7.21 -40.07 2 3 1 26 326.258 4 ↓

Analogs

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Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-chloro-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.18 4.84 -3.68 1 3 0 24 280.799 4 ↓
Mid Mid (pH 6-8) 3.18 7.07 -38.74 2 3 1 26 281.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-chloro-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.18 4.99 -3.38 1 3 0 24 280.799 4 ↓
Mid Mid (pH 6-8) 3.18 7.08 -40.08 2 3 1 26 281.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-methyl-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 2.98 4.92 -3.86 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 2.98 7.15 -38.32 2 3 1 26 261.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-methyl-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 2.98 5.06 -3.53 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 2.98 7.16 -39.68 2 3 1 26 261.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-methyl-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.00 4.93 -3.82 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 3.00 7.17 -38.25 2 3 1 26 261.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-methyl-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.00 5.08 -3.5 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 3.00 7.17 -39.53 2 3 1 26 261.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-chloro-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.23 4.77 -3.89 1 3 0 24 280.799 4 ↓
Mid Mid (pH 6-8) 3.23 7 -41.33 2 3 1 26 281.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-chloro-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.23 4.92 -3.67 1 3 0 24 280.799 4 ↓
Mid Mid (pH 6-8) 3.23 7 -42.63 2 3 1 26 281.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-fluoro-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 2.67 4.34 -4.44 1 3 0 24 264.344 4 ↓
Mid Mid (pH 6-8) 2.67 6.57 -39.57 2 3 1 26 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-fluoro-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 2.67 4.48 -4.17 1 3 0 24 264.344 4 ↓
Mid Mid (pH 6-8) 2.67 6.59 -40.86 2 3 1 26 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-chloro-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.21 4.76 -4.07 1 3 0 24 280.799 4 ↓
Mid Mid (pH 6-8) 3.21 6.99 -39.25 2 3 1 26 281.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-chloro-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.21 4.9 -3.83 1 3 0 24 280.799 4 ↓
Mid Mid (pH 6-8) 3.21 7.01 -40.57 2 3 1 26 281.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-fluoro-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 2.69 4.32 -4.79 1 3 0 24 264.344 4 ↓
Mid Mid (pH 6-8) 2.69 6.55 -40.12 2 3 1 26 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-fluoro-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 2.69 4.46 -4.55 1 3 0 24 264.344 4 ↓
Mid Mid (pH 6-8) 2.69 6.55 -41.54 2 3 1 26 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-bromo-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.34 4.86 -4.05 1 3 0 24 325.25 4 ↓
Mid Mid (pH 6-8) 3.34 7.09 -39.2 2 3 1 26 326.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-3-bromo-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.34 5.02 -3.8 1 3 0 24 325.25 4 ↓
Mid Mid (pH 6-8) 3.34 7.1 -40.54 2 3 1 26 326.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-methyl-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 2.95 5.05 -3.82 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 2.95 7.29 -38.75 2 3 1 26 261.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-2-methyl-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 2.95 5.19 -3.54 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 2.95 7.28 -40.08 2 3 1 26 261.389 4 ↓

Analogs

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Popular Name: N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-bromo-aniline N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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) 3.36 4.87 -3.87 1 3 0 24 325.25 4 ↓
Mid Mid (pH 6-8) 3.36 7.1 -41.44 2 3 1 26 326.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-4-bromo-aniline N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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) 3.36 5.03 -3.57 1 3 0 24 325.25 4 ↓
Mid Mid (pH 6-8) 3.36 7.1 -42.81 2 3 1 26 326.258 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]propyl]aniline N-[(2S)-2-[(4aS,7aS)-3,4a,5,6,7,…

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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) 2.88 5.05 -3.03 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 2.88 7.04 -34.39 2 3 1 26 261.389 4 ↓

Analogs

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Popular Name: N-[(2R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]propyl]aniline N-[(2R)-2-[(4aS,7aS)-3,4a,5,6,7,…

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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) 2.88 4.9 -3 1 3 0 24 260.381 4 ↓
Mid Mid (pH 6-8) 2.88 7.12 -35.24 2 3 1 26 261.389 4 ↓

Parameters Provided:

ring.id = 58627
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 = 58627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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