UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Clavamycin A Clavamycin A

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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) -5.30 -11.99 -86.29 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -12.29 -60.98 5 13 -1 195 413.363 7 ↓

Analogs

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Popular Name: Clavamycin A Clavamycin A

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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) -5.30 -12.43 -86.98 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -12.74 -60.78 5 13 -1 195 413.363 7 ↓

Analogs

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Popular Name: 103059-93-4; C06667; Clavamycin A 103059-93-4; C06667; Clavamycin A

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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) -5.30 -11.17 -77.59 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -11.56 -62.43 5 13 -1 195 413.363 7 ↓

Analogs

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Popular Name: 103059-93-4; C06667; Clavamycin A 103059-93-4; C06667; Clavamycin A

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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) -5.30 -11.95 -76.95 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -12.3 -62.76 5 13 -1 195 413.363 7 ↓

Analogs

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Popular Name: 8-Hydroxyalanylclavam; C17359 8-Hydroxyalanylclavam; C17359

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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) -4.33 -5.88 -46.9 4 7 0 118 216.193 3 ↓
Hi High (pH 8-9.5) -4.33 -6.14 -45.17 3 7 -1 116 215.185 3 ↓

Analogs

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Popular Name: Clavamycin B Clavamycin B

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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) -5.57 -12.81 -102.26 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -13.73 -56.62 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -13.3 -71.6 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: Clavamycin B Clavamycin B

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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) -5.57 -13.58 -101.59 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -14.38 -57.93 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -13.95 -72.93 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: C17362; Clavamycin B C17362; Clavamycin B

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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) -5.57 -10.83 -127.39 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -11.75 -59.61 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -11.45 -88.8 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: C17362; Clavamycin B C17362; Clavamycin B

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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) -5.57 -11.62 -127.39 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -12.42 -61.34 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -12.12 -91.03 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: Clavamycin C Clavamycin C

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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) -5.57 -12.54 -121.41 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -13.73 -57.75 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -13.27 -86.07 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: Clavamycin C Clavamycin C

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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) -5.57 -13.57 -135.29 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -14.31 -58.65 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -13.85 -87.59 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: C17363; Clavamycin C C17363; Clavamycin C

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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) -5.57 -12.03 -121.08 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -13.2 -58.54 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -12.75 -87.3 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: C17363; Clavamycin C C17363; Clavamycin C

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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) -5.57 -13.08 -135.26 10 12 1 215 363.347 8 ↓
Hi High (pH 8-9.5) -5.57 -13.78 -59.57 8 12 -1 211 361.331 8 ↓
Mid Mid (pH 6-8) -5.57 -13.33 -88.98 9 12 0 213 362.339 8 ↓

Analogs

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Popular Name: clavamycin e clavamycin e

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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) -4.67 -6.31 -75.97 5 9 0 147 287.272 5 ↓
Hi High (pH 8-9.5) -4.67 -6.56 -56.7 4 9 -1 145 286.264 5 ↓

Analogs

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Popular Name: clavamycin e clavamycin e

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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) -4.67 -5.3 -64.1 5 9 0 147 287.272 5 ↓
Hi High (pH 8-9.5) -4.67 -5.54 -49.25 4 9 -1 145 286.264 5 ↓

Analogs

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Popular Name: Clavamycin F Clavamycin F

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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) -4.96 -6.38 -89.97 6 11 0 176 372.378 9 ↓
Hi High (pH 8-9.5) -4.96 -6.68 -65.97 5 11 -1 174 371.37 9 ↓

Analogs

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Popular Name: Clavamycin F Clavamycin F

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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) -4.96 -5.37 -77.54 6 11 0 176 372.378 9 ↓
Hi High (pH 8-9.5) -4.96 -6.19 -64.95 5 11 -1 174 371.37 9 ↓

Analogs

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Popular Name: 2-[(3R,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]-2-(2-thienyl)propanedioic 2-[(3R,5S)-7-oxo-4-oxa-1-azabicy…

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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) -0.34 2.52 -126.51 0 7 -2 110 295.272 4 ↓

Analogs

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Popular Name: 2-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]-2-(2-thienyl)propanedioic 2-[(3S,5S)-7-oxo-4-oxa-1-azabicy…

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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) -0.34 2.91 -127.81 0 7 -2 110 295.272 4 ↓

Analogs

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Popular Name: 2-[(3R,5R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]-2-(2-thienyl)propanedioic 2-[(3R,5R)-7-oxo-4-oxa-1-azabicy…

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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) -0.34 2.68 -128.01 0 7 -2 110 295.272 4 ↓

Analogs

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Popular Name: 2-[(3S,5R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]-2-(2-thienyl)propanedioic 2-[(3S,5R)-7-oxo-4-oxa-1-azabicy…

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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) -0.34 2.99 -128.54 0 7 -2 110 295.272 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.10 1.8 -8.68 0 5 0 56 268.096 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.10 1.01 -9.6 0 5 0 56 268.096 4 ↓

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Popular Name: ethyl ethyl

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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) 1.10 0.71 -10.76 0 5 0 56 268.096 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.10 1.5 -8.76 0 5 0 56 268.096 4 ↓

Analogs

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Popular Name: 2-[(3S,5R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanedioic 2-[(3S,5R)-7-oxo-4-oxa-1-azabicy…

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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) -1.53 0.22 -119.44 0 7 -2 110 213.145 3 ↓
Lo Low (pH 4.5-6) -1.53 -1.45 -46.79 1 7 -1 107 214.153 3 ↓

Analogs

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Popular Name: 2-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanedioic 2-[(3S,5S)-7-oxo-4-oxa-1-azabicy…

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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) -1.53 0.12 -117.99 0 7 -2 110 213.145 3 ↓
Lo Low (pH 4.5-6) -1.53 -1.53 -44.61 1 7 -1 107 214.153 3 ↓

Analogs

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Popular Name: 2-[(3R,5R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanedioic 2-[(3R,5R)-7-oxo-4-oxa-1-azabicy…

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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) -1.53 0.07 -117.79 0 7 -2 110 213.145 3 ↓
Lo Low (pH 4.5-6) -1.53 -2.16 -44.05 1 7 -1 107 214.153 3 ↓

Analogs

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Popular Name: 2-[(3R,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanedioic 2-[(3R,5S)-7-oxo-4-oxa-1-azabicy…

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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) -1.53 0.15 -117.29 0 7 -2 110 213.145 3 ↓
Lo Low (pH 4.5-6) -1.53 -2.08 -43.37 1 7 -1 107 214.153 3 ↓

Analogs

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Popular Name: (2S)-2-[(3R,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic (2S)-2-[(3R,5S)-7-oxo-4-oxa-1-az…

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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 -0 -49.56 0 5 -1 70 184.171 2 ↓

Analogs

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Popular Name: (2R)-2-[(3R,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic (2R)-2-[(3R,5S)-7-oxo-4-oxa-1-az…

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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 -0.46 -43.75 0 5 -1 70 184.171 2 ↓

Analogs

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Popular Name: (2S)-2-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic (2S)-2-[(3S,5S)-7-oxo-4-oxa-1-az…

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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 -0.42 -44.95 0 5 -1 70 184.171 2 ↓

Analogs

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Popular Name: (2R)-2-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic (2R)-2-[(3S,5S)-7-oxo-4-oxa-1-az…

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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 0.17 -45.33 0 5 -1 70 184.171 2 ↓

Parameters Provided:

ring.id = 169573
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 = 169573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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