UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4212236
4212236

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Popular Name: CL-206214 CL-206214

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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) 2.36 -3.64 -12.94 1 4 0 44 289.404 3 ↓

Analogs

4213983
4213983

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Popular Name: R-29860 R-29860

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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) 2.02 7.31 -38.07 1 5 1 63 250.303 2 ↓

Analogs

4214008
4214008

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Popular Name: TEI-3096 TEI-3096

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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) 2.00 -2.08 -12.63 0 4 0 49 294.763 2 ↓

Analogs

2015967
2015967

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Popular Name: Olpimedone (INN) Olpimedone (INN)

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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) 1.65 -2.72 -7.31 0 3 0 32 170.237 0 ↓

Analogs

1842644
1842644

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Popular Name: INN) INN)

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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) 0.95 -0.4 -38.63 4 6 1 98 336.846 2 ↓

Analogs

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Popular Name: 3-hydrazono-7,7-dioxo-4,7$l^{6}-dithia-2-azabicyclo[3.3.0]octane 3-hydrazono-7,7-dioxo-4,7$l^{6}-…

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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) -0.98 -2 -42.95 4 5 1 86 208.288 0 ↓
Hi High (pH 8-9.5) -0.98 -2.13 -13.85 3 5 0 85 207.28 0 ↓
Hi High (pH 8-9.5) -0.98 -1.88 -43.05 4 5 1 86 208.288 0 ↓

Analogs

13140562
13140562

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Popular Name: 4-[(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)amino]-4-oxo-butanoic 4-[(8-allyl-3,3-dioxo-3$l^{6},6-…

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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) -0.37 2.29 -60.64 0 7 -1 107 331.395 5 ↓
Ref Reference (pH 7) -0.37 3.1 -60.85 0 7 -1 107 331.395 5 ↓
Mid Mid (pH 6-8) -0.37 4.08 -60.79 1 7 0 109 332.403 5 ↓

Analogs

13140562
13140562

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Popular Name: 4-[(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)amino]-4-oxo-butanoic 4-[(8-allyl-3,3-dioxo-3$l^{6},6-…

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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) -0.37 2.78 -59.98 0 7 -1 107 331.395 5 ↓
Mid Mid (pH 6-8) -0.37 3.89 -59.61 1 7 0 109 332.403 5 ↓

Analogs

8663941
8663941

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Popular Name: 3-methyl-5-(4-nitrophenyl)-2-phenylimino-thiazolidin-5-ol 3-methyl-5-(4-nitrophenyl)-2-phe…

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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) 3.30 -1.78 -11.28 1 6 0 81 329.381 3 ↓

Analogs

9134794
9134794
9134795
9134795
9134796
9134796

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Popular Name: N-(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-3,4-dimethoxy-benzamide N-(8-allyl-3,3-dioxo-3$l^{6},6-d…

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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) 1.20 -4.63 -21.71 0 7 0 85 396.49 5 ↓

Analogs

9134795
9134795
9134796
9134796
9134792
9134792

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Popular Name: N-(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-3,4-dimethoxy-benzamide N-(8-allyl-3,3-dioxo-3$l^{6},6-d…

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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) 1.20 -4.84 -20.46 0 7 0 85 396.49 5 ↓

Analogs

9134796
9134796
9134792
9134792
9134794
9134794

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Popular Name: N-(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-3,4-dimethoxy-benzamide N-(8-allyl-3,3-dioxo-3$l^{6},6-d…

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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) 1.20 -4.9 -20.57 0 7 0 85 396.49 5 ↓

Analogs

9134792
9134792
9134794
9134794

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Popular Name: N-(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-3,4-dimethoxy-benzamide N-(8-allyl-3,3-dioxo-3$l^{6},6-d…

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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) 1.20 -4.75 -21.8 0 7 0 85 396.49 5 ↓

Analogs

9134912
9134912
9134913
9134913
9134914
9134914

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Popular Name: N-[8-[2-(4-fluorophenyl)ethyl]-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-4-methox N-[8-[2-(4-fluorophenyl)ethyl]-3…

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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) 2.93 -4.4 -22.63 0 6 0 76 448.541 5 ↓

Analogs

9134913
9134913
9134914
9134914
9134910
9134910

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Popular Name: N-[8-[2-(4-fluorophenyl)ethyl]-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-4-methox N-[8-[2-(4-fluorophenyl)ethyl]-3…

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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) 2.93 -4.6 -21.24 0 6 0 76 448.541 5 ↓

Analogs

9134914
9134914
9134910
9134910
9134912
9134912

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Popular Name: N-[8-[2-(4-fluorophenyl)ethyl]-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-4-methox N-[8-[2-(4-fluorophenyl)ethyl]-3…

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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) 2.93 -4.66 -21.45 0 6 0 76 448.541 5 ↓

Analogs

9134910
9134910
9134912
9134912
9134913
9134913

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Popular Name: N-[8-[2-(4-fluorophenyl)ethyl]-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-4-methox N-[8-[2-(4-fluorophenyl)ethyl]-3…

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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) 2.93 -4.47 -22.43 0 6 0 76 448.541 5 ↓

Analogs

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Popular Name: 2-cyano-3-[(3,3-dioxo-8-phenyl-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)amino]-N-(2-furylme 2-cyano-3-[(3,3-dioxo-8-phenyl-3…

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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) 1.24 6.23 -20.64 1 8 0 116 442.522 5 ↓

Analogs

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Popular Name: N-[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-2-methoxy-acetami N-[8-(3-butoxyphenyl)-3,3-dioxo-…

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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) 2.35 5.3 -19.42 0 7 0 85 412.533 7 ↓

Analogs

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Popular Name: 4-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-4-oxo-buta 4-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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 5.89 -64.29 0 8 -1 116 439.535 8 ↓

Analogs

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Popular Name: 4-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-4-oxo-buta 4-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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 -5.89 -60.55 0 8 -1 116 439.535 8 ↓

Analogs

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Popular Name: 4-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-4-oxo-buta 4-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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 -5.59 -65.57 0 8 -1 116 439.535 8 ↓

Analogs

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Popular Name: 4-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-4-oxo-buta 4-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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 -5.68 -64.25 0 8 -1 116 439.535 8 ↓

Analogs

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Popular Name: 5-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-5-oxo-pent 5-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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) 2.66 -5.59 -66.56 0 8 -1 116 453.562 9 ↓

Analogs

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Popular Name: 5-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-5-oxo-pent 5-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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) 2.66 -5.8 -64.39 0 8 -1 116 453.562 9 ↓

Analogs

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Popular Name: 5-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-5-oxo-pent 5-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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) 2.66 -5.47 -67.41 0 8 -1 116 453.562 9 ↓

Analogs

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Popular Name: 5-[[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]amino]-5-oxo-pent 5-[[8-(3-butoxyphenyl)-3,3-dioxo…

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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) 2.66 -5.57 -66.61 0 8 -1 116 453.562 9 ↓

Analogs

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Popular Name: N-[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-3-phenyl-propanam N-[8-(3-butoxyphenyl)-3,3-dioxo-…

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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) 4.69 -4.83 -18.84 0 6 0 76 472.632 8 ↓

Analogs

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Popular Name: N-[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-3-phenyl-propanam N-[8-(3-butoxyphenyl)-3,3-dioxo-…

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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) 4.69 -5.01 -16.38 0 6 0 76 472.632 8 ↓

Analogs

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Popular Name: N-[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-3-phenyl-propanam N-[8-(3-butoxyphenyl)-3,3-dioxo-…

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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) 4.69 -5 -16.75 0 6 0 76 472.632 8 ↓

Analogs

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Popular Name: N-[8-(3-butoxyphenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-3-phenyl-propanam N-[8-(3-butoxyphenyl)-3,3-dioxo-…

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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) 4.69 -4.82 -17.27 0 6 0 76 472.632 8 ↓

Analogs

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Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.32 -17.09 0 6 0 70 449.985 3 ↓

Analogs

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Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.34 -16.01 0 6 0 70 449.985 3 ↓

Analogs

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Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.33 -16.16 0 6 0 70 449.985 3 ↓

Analogs

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Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.04 -17.23 0 6 0 70 449.985 3 ↓

Analogs

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Popular Name: 3-(2,5-difluorophenyl)-N-(4,5-dihydrothiazol-2-yl)propanamide 3-(2,5-difluorophenyl)-N-(4,5-di…

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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) 2.29 4.99 -11.1 1 3 0 41 270.304 3 ↓

Analogs

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Popular Name: 3-[3-(4-bromo-2-thienyl)-1,2,4-oxadiazol-5-yl]-N-(4,5-dihydrothiazol-2-yl)propanamide 3-[3-(4-bromo-2-thienyl)-1,2,4-o…

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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) 2.42 2.98 -13.11 1 6 0 80 387.284 4 ↓
Mid Mid (pH 6-8) 2.42 3.29 -12.67 1 6 0 80 387.284 4 ↓

Analogs

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Popular Name: N-(4-(((5-((4-(acetylamino)phenyl)sulfonyl)(2,5-thiazolidinylidene))azamethyl)sulfonyl)phenyl)ethanamide N-(4-(((5-((4-(acetylamino)pheny…

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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) 0.89 2.99 -36.43 2 10 0 142 496.592 6 ↓
Ref Reference (pH 7) 0.89 4.35 -32.94 2 10 0 142 496.592 6 ↓

Analogs

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Popular Name: 1-[(2Z,5S)-5-ethyl-2-(3-methoxyphenyl)imino-thiazolidin-3-yl]-2,2-diphenyl-ethanone 1-[(2Z,5S)-5-ethyl-2-(3-methoxyp…

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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) 5.75 14.56 -9.13 0 4 0 42 430.573 6 ↓
Mid Mid (pH 6-8) 5.75 13.17 -16.72 0 4 0 42 430.573 6 ↓

Analogs

15894634
15894634

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Popular Name: N-(3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)benzamide N-(3-(3-methylphenyl)-5,5-dioxid…

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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) 3.03 6.77 -18.09 0 5 0 67 386.498 2 ↓
Ref Reference (pH 7) 3.03 7.37 -17.34 0 5 0 67 386.498 2 ↓
Lo Low (pH 4.5-6) 3.03 8.26 -36.92 1 5 1 68 387.506 2 ↓

Analogs

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Popular Name: 3-[[(5R)-3-(furan-2-carbonyl)-5-methyl-thiazolidin-2-ylidene]amino]-N,N-dimethyl-benzenesulfonamide 3-[[(5R)-3-(furan-2-carbonyl)-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) 2.28 5.88 -19.33 0 7 0 83 393.49 4 ↓

Analogs

6378203
6378203

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Popular Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-[(2Z)-2-(2,5-dimethylphenyl)imino-4,4-dimethyl-thiazolidin-3-yl]et 2-[(5S,7R)-3-bromo-1-adamantyl]-…

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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) 6.74 15.93 -5.28 0 3 0 33 489.523 3 ↓

Analogs

4295282
4295282

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Popular Name: 5-[[(3aS,6aS)-3-allyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]amino]-5-oxo-pent 5-[[(3aS,6aS)-3-allyl-5,5-dioxo-…

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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) 0.13 2.86 -65.97 0 7 -1 107 345.422 6 ↓

Analogs

15894529
15894529

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Popular Name: (NZ,2S)-N-[(3aR,6aR)-3-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene (NZ,2S)-N-[(3aR,6aR)-3-(4-acetyl…

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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) 1.17 5.22 -25.26 0 7 0 93 408.501 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulf N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 3.19 8.36 -18.91 1 7 0 81 437.566 8 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulf N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 3.19 8.63 -19.07 1 7 0 81 437.566 8 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sul N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 2.80 7.75 -19.51 1 7 0 81 423.539 7 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sul N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 2.80 7.75 -19.54 1 7 0 81 423.539 7 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-isobutyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sul N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 2.64 8.46 -23.03 1 8 0 91 449.602 9 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-isobutyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sul N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 2.64 8.19 -22.88 1 8 0 91 449.602 9 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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