UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-methyl-1,3,4-thiadiazole-2-thione 3-[[(4-methoxyphenyl)methyl-meth…

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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) 1.57 5.82 -11.06 0 4 0 30 295.433 5 ↓

Analogs

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Popular Name: 3-[[benzyl(methyl)amino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione 3-[[benzyl(methyl)amino]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) 2.97 7.51 -9.45 1 4 0 33 322.503 6 ↓

Analogs

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Popular Name: 5-ethoxy-3-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thio 5-ethoxy-3-[[(3-methoxy-4-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) 2.78 5.11 -9.88 0 5 0 40 371.553 8 ↓
Lo Low (pH 4.5-6) 2.78 7.55 -45.3 1 5 1 41 372.561 8 ↓

Analogs

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Popular Name: 5-ethylsulfanyl-3-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-1,3,4-thiadiazole 5-ethylsulfanyl-3-[[(3-methoxy-4…

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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) 3.32 7.99 -10.56 0 4 0 30 387.621 8 ↓
Lo Low (pH 4.5-6) 3.32 10.43 -44.33 1 4 1 31 388.629 8 ↓

Analogs

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Popular Name: 3-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-5-methyl-1,3,4-thiadiazole-2-thio 3-[[(3-methoxy-4-methylsulfanyl-…

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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 6.88 -13.21 0 4 0 30 341.527 6 ↓
Lo Low (pH 4.5-6) 1.94 9.35 -46.2 1 4 1 31 342.535 6 ↓

Analogs

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Popular Name: 2-[[4-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propy 2-[[4-[[(4-ethoxyphenyl)methyl-m…

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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) 2.94 7.16 -13.3 1 6 0 59 426.633 11 ↓

Analogs

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Popular Name: 3-[[benzyl(methyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[benzyl(methyl)amino]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) 2.03 7.58 -9.85 0 4 0 24 294.449 5 ↓
Lo Low (pH 4.5-6) 2.03 10.02 -37.45 1 4 1 26 295.457 5 ↓

Analogs

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Popular Name: 3-[[benzyl(isopropyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[benzyl(isopropyl)amino]methy…

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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) 2.70 9.27 -9.65 0 4 0 24 322.503 6 ↓
Mid Mid (pH 6-8) 2.70 10.72 -33.57 1 4 1 26 323.511 6 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[(4-methoxy…

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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) 2.09 6.88 -10.94 0 5 0 34 324.475 6 ↓
Mid Mid (pH 6-8) 2.09 9.37 -40.27 1 5 1 35 325.483 6 ↓

Analogs

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Popular Name: 3-[[benzyl(propyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[benzyl(propyl)amino]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) 2.91 8.98 -9.03 0 4 0 24 322.503 7 ↓
Mid Mid (pH 6-8) 2.91 11.25 -32.59 1 4 1 26 323.511 7 ↓

Analogs

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Popular Name: 3-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[(3-chlorophenyl)methyl-methy…

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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) 2.68 8.07 -11 0 4 0 24 328.894 5 ↓
Lo Low (pH 4.5-6) 2.68 10.53 -41.23 1 4 1 26 329.902 5 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[(4-dimethy…

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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) 2.13 8.04 -10.99 0 5 0 28 337.518 6 ↓
Mid Mid (pH 6-8) 2.13 10.48 -37.28 1 5 1 29 338.526 6 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3,4-thiadiazole-2-th 5-(dimethylamino)-3-[[methyl-[[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) 2.88 9.58 -13.12 0 4 0 24 362.446 6 ↓

Analogs

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Popular Name: 3-[[allyl(benzyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[allyl(benzyl)amino]methyl]-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) 2.67 9.14 -9.11 0 4 0 24 320.487 7 ↓
Lo Low (pH 4.5-6) 2.67 11.08 -32.14 1 4 1 26 321.495 7 ↓

Analogs

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Popular Name: 3-[[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-methyl-amino]methyl]benzonitrile 3-[[[5-(dimethylamino)-2-thioxo-…

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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) 1.76 7.94 -14.35 0 5 0 48 319.459 5 ↓
Lo Low (pH 4.5-6) 1.76 10.44 -48.46 1 5 1 49 320.467 5 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[[(1S)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[[(1S)-2,2-…

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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) 3.67 8.81 -7.51 1 4 0 33 336.53 6 ↓
Mid Mid (pH 6-8) 3.67 8.95 -32.9 2 4 1 34 337.538 6 ↓
Mid Mid (pH 6-8) 3.67 10.18 -35.67 2 4 1 38 337.538 6 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[[(1R)-2,2-…

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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) 3.67 9.37 -7.76 1 4 0 33 336.53 6 ↓
Mid Mid (pH 6-8) 3.67 10.19 -33.57 2 4 1 38 337.538 6 ↓
Mid Mid (pH 6-8) 3.67 9.51 -34.35 2 4 1 34 337.538 6 ↓

Analogs

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Popular Name: 3-[[(2-chlorophenyl)methyl-ethyl-amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[(2-chlorophenyl)methyl-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) 3.04 8.64 -9.79 0 4 0 24 342.921 6 ↓
Lo Low (pH 4.5-6) 3.04 11.03 -31.66 1 4 1 26 343.929 6 ↓

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) 2.57 9.3 -14.02 0 6 0 51 386.93 8 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[[(1S)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]amino]methyl]-1,3,4-thiadiazole-2 5-(dimethylamino)-3-[[[(1S)-1-(4…

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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) 3.83 8.87 -7.63 1 4 0 33 354.52 6 ↓
Mid Mid (pH 6-8) 3.83 10.29 -40.87 2 4 1 38 355.528 6 ↓
Mid Mid (pH 6-8) 3.83 9.01 -35.06 2 4 1 34 355.528 6 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[isopropyl-[(4-nitrophenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[isopropyl-…

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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 9.92 -13.16 0 7 0 70 367.5 7 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-1,3,4-thiadiazo 5-(dimethylamino)-3-[[(3-methoxy…

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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) 2.45 7.95 -13.17 0 5 0 34 370.569 7 ↓
Lo Low (pH 4.5-6) 2.45 10.37 -44.57 1 5 1 35 371.577 7 ↓

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) 2.43 9.4 -12.3 0 6 0 51 384.502 9 ↓
Lo Low (pH 4.5-6) 2.43 11.61 -39 1 6 1 52 385.51 9 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[(4-methoxy-3-methyl-phenyl)methyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thi 5-(dimethylamino)-3-[[(4-methoxy…

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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) 2.46 7.45 -10.9 0 5 0 34 338.502 6 ↓
Mid Mid (pH 6-8) 2.46 9.93 -39.74 1 5 1 35 339.51 6 ↓

Analogs

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Popular Name: 3-[[[1-(2-methoxyphenyl)-1-methyl-ethyl]amino]methyl]-5-methyl-1,3,4-thiadiazole-2-thione 3-[[[1-(2-methoxyphenyl)-1-methy…

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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 7.63 -108.94 3 4 2 45 311.476 5 ↓
Mid Mid (pH 6-8) 2.29 6.93 -9.42 1 4 0 39 309.46 5 ↓
Mid Mid (pH 6-8) 2.29 7.53 -35.43 2 4 1 44 310.468 5 ↓

Analogs

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Popular Name: 3-[[ethyl-[(2-nitrophenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-thione 3-[[ethyl-[(2-nitrophenyl)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) 2.09 7.48 -14.07 0 6 0 67 310.404 6 ↓
Mid Mid (pH 6-8) 2.09 9.27 -38.27 1 6 1 68 311.412 6 ↓

Analogs

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Popular Name: 3-[[ethyl-[(3-nitrophenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-thione 3-[[ethyl-[(3-nitrophenyl)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) 2.11 7.33 -15.28 0 6 0 67 310.404 6 ↓
Mid Mid (pH 6-8) 2.11 9.45 -49.29 1 6 1 68 311.412 6 ↓

Analogs

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Popular Name: 2-[[ethyl-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzonitrile 2-[[ethyl-[(2-thioxo-1,3,4-thiad…

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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) 1.89 6.45 -13.51 0 4 0 45 290.417 5 ↓
Mid Mid (pH 6-8) 1.89 8.98 -37.73 1 4 1 46 291.425 5 ↓

Analogs

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Popular Name: 2-[[ethyl-[(5-methyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzonitrile 2-[[ethyl-[(5-methyl-2-thioxo-1,…

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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) 1.60 7.4 -12.04 0 4 0 45 304.444 5 ↓
Mid Mid (pH 6-8) 1.60 9.72 -35.27 1 4 1 46 305.452 5 ↓

Analogs

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Popular Name: 3-[[methyl-[(4-nitrophenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-thione 3-[[methyl-[(4-nitrophenyl)methy…

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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) 1.76 6.36 -15.46 0 6 0 67 296.377 5 ↓
Lo Low (pH 4.5-6) 1.76 8.81 -56.47 1 6 1 68 297.385 5 ↓

Analogs

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Popular Name: 5-methyl-3-[[methyl-[(4-nitrophenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-thione 5-methyl-3-[[methyl-[(4-nitrophe…

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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) 1.48 7.24 -13.81 0 6 0 67 310.404 5 ↓
Lo Low (pH 4.5-6) 1.48 9.7 -54.9 1 6 1 68 311.412 5 ↓

Analogs

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Popular Name: 3-[[(2-chlorophenyl)methyl-prop-2-ynyl-amino]methyl]-5-methyl-1,3,4-thiadiazole-2-thione 3-[[(2-chlorophenyl)methyl-prop-…

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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) 2.31 7.79 -11.7 0 3 0 21 323.874 5 ↓

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