UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(thiadiazol-4-ylmethyl)benzotriazole 1-(thiadiazol-4-ylmethyl)benzotr…

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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) 1.78 0.02 -13.48 0 5 0 56 217.257 2 ↓

Analogs

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Popular Name: 1-[4-(2-furyl)thiadiazol-5-yl]benzotriazole 1-[4-(2-furyl)thiadiazol-5-yl]be…

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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) 2.58 1.31 -12.05 0 6 0 69 269.289 2 ↓

Analogs

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Popular Name: 1-[4-(2-thienyl)thiadiazol-5-yl]benzotriazole 1-[4-(2-thienyl)thiadiazol-5-yl]…

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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 0.18 -10.82 0 5 0 56 285.357 2 ↓

Analogs

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Popular Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone [4-(2,3-dihydro-1,4-benzodioxin-…

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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) 1.80 4.7 -9.75 0 7 0 68 374.466 4 ↓
Mid Mid (pH 6-8) 1.80 6.86 -55.12 1 7 1 69 375.474 4 ↓

Analogs

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Popular Name: N-benzyl-N-(thiazol-2-ylmethyl)thiadiazole-4-carboxamide N-benzyl-N-(thiazol-2-ylmethyl)t…

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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) 1.67 -0.27 -9.32 0 5 0 58 316.411 5 ↓

Analogs

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Popular Name: N-(1-methyl-3-phenyl-propyl)-N-(thiazol-2-ylmethyl)thiadiazole-4-carboxamide N-(1-methyl-3-phenyl-propyl)-N-(…

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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) 2.92 0.54 -8.91 0 5 0 58 358.492 7 ↓

Analogs

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Popular Name: N-(1-methyl-3-phenyl-propyl)-N-(thiazol-2-ylmethyl)thiadiazole-4-carboxamide N-(1-methyl-3-phenyl-propyl)-N-(…

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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) 2.92 0.63 -10.01 0 5 0 58 358.492 7 ↓

Analogs

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Popular Name: N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyl)-N-phenethyl-thiadiazole-4-carboxamide N-(2,5-dioxabicyclo[4.4.0]deca-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) 2.92 0.22 -12.04 0 6 0 64 381.457 6 ↓

Analogs

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Popular Name: N-[(3-phenylphenyl)methyl]-N-(thiazol-2-ylmethyl)thiadiazole-4-carboxamide N-[(3-phenylphenyl)methyl]-N-(th…

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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) 3.44 10.43 -11.01 0 5 0 59 392.509 6 ↓

Analogs

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Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-N-cyclohexyl-thiadiazole-4-carboxamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 3.40 7.53 -8.99 0 6 0 65 345.424 4 ↓

Analogs

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Popular Name: N-benzyl-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyl)thiadiazole-4-carboxamide N-benzyl-N-(2,5-dioxabicyclo[4.4…

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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) 2.51 0.03 -12.4 0 6 0 64 367.43 5 ↓

Analogs

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Popular Name: N-benzyl-N-(cyclohexylmethyl)thiadiazole-4-carboxamide N-benzyl-N-(cyclohexylmethyl)thi…

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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) 3.89 0.81 -6.82 0 4 0 46 315.442 5 ↓

Analogs

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Popular Name: N-benzyl-N-(3-phenylpropyl)thiadiazole-4-carboxamide N-benzyl-N-(3-phenylpropyl)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) 3.93 1.18 -8.74 0 4 0 46 337.448 7 ↓

Analogs

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Popular Name: 2-[4-[3-chloro-4-[[2-[4-(2-chloro-4-methyl-phenyl)thiadiazol-5-yl]sulfanylacetyl]amino]phenyl]phenyl 2-[4-[3-chloro-4-[[2-[4-(2-chlor…

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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) 6.61 14.3 -54.5 1 6 -1 95 543.477 8 ↓

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) 1.47 5.54 -41.51 1 5 1 57 264.758 7 ↓
Mid Mid (pH 6-8) 1.47 3.23 -8.44 0 5 0 55 263.75 7 ↓

Analogs

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Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-3-nitro-pyridin-2-one 1-[(5-chlorothiadiazol-4-yl)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) 1.46 5.52 -17.54 0 7 0 94 272.673 3 ↓

Analogs

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Popular Name: N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethyl-3-methyl-aniline N-[(5-chlorothiadiazol-4-yl)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) 3.87 7.18 -5.06 0 3 0 29 267.785 4 ↓

Analogs

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Popular Name: (4-ethylthiadiazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (4-ethylthiadiazol-5-yl)-[4-[(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) 2.41 5.45 -7.61 0 5 0 49 334.42 4 ↓
Lo Low (pH 4.5-6) 2.41 7.59 -47.89 1 5 1 51 335.428 4 ↓

Analogs

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Popular Name: 6-amino-5-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-1-butyl-pyrimidine-2,4-dione 6-amino-5-[benzyl-[(5-chlorothia…

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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) 2.90 6.54 -15.26 3 8 0 110 420.926 8 ↓

Analogs

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Popular Name: 4-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[2-(2-methoxyphenyl)et…

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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 4.67 -10.18 1 5 0 64 291.376 6 ↓

Analogs

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Popular Name: 4-ethyl-N-[(2S)-2-phenylpropyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2S)-2-phenylpropyl]t…

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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 5.9 -8.94 1 4 0 55 275.377 5 ↓

Analogs

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Popular Name: 4-ethyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2R)-2-phenylpropyl]t…

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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 5.9 -8.97 1 4 0 55 275.377 5 ↓

Analogs

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Popular Name: 4-[[3-methoxypropyl(methyl)amino]methyl]thiadiazol-5-amine 4-[[3-methoxypropyl(methyl)amino…

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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 1.23 -42.23 3 5 1 65 217.318 6 ↓
Mid Mid (pH 6-8) 0.43 -1.09 -8.96 2 5 0 64 216.31 6 ↓

Analogs

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Popular Name: 4-[[3-methoxypropyl(methyl)amino]methyl]-N-methyl-thiadiazol-5-amine 4-[[3-methoxypropyl(methyl)amino…

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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) 0.81 2.33 -41.81 2 5 1 51 231.345 7 ↓
Mid Mid (pH 6-8) 0.81 0 -9.7 1 5 0 50 230.337 7 ↓

Analogs

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Popular Name: N-ethyl-4-[[3-methoxypropyl(methyl)amino]methyl]thiadiazol-5-amine N-ethyl-4-[[3-methoxypropyl(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) 1.19 3.14 -40.9 2 5 1 51 245.372 8 ↓
Mid Mid (pH 6-8) 1.19 0.81 -8.82 1 5 0 50 244.364 8 ↓

Analogs

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Popular Name: 4-[[3-methoxypropyl(methyl)amino]methyl]-N-propyl-thiadiazol-5-amine 4-[[3-methoxypropyl(methyl)amino…

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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) 1.69 3.91 -41.2 2 5 1 51 259.399 9 ↓
Mid Mid (pH 6-8) 1.69 1.57 -8.54 1 5 0 50 258.391 9 ↓

Analogs

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Popular Name: 4-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]thiadiazol-5-amine 4-[[4-(pyrrolidin-1-ylmethyl)-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) 1.38 5.77 -99.99 4 5 2 61 283.445 4 ↓
Mid Mid (pH 6-8) 1.38 3.5 -40.2 3 5 1 59 282.437 4 ↓

Analogs

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Popular Name: N-methyl-4-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]thiadiazol-5-amine N-methyl-4-[[4-(pyrrolidin-1-ylm…

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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 6.81 -100.75 3 5 2 47 297.472 5 ↓
Mid Mid (pH 6-8) 1.76 4.59 -41.19 2 5 1 45 296.464 5 ↓

Analogs

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Popular Name: N-ethyl-4-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]thiadiazol-5-amine N-ethyl-4-[[4-(pyrrolidin-1-ylme…

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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) 2.14 7.65 -100.13 3 5 2 47 311.499 6 ↓
Mid Mid (pH 6-8) 2.14 5.41 -40.4 2 5 1 45 310.491 6 ↓

Analogs

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Popular Name: N-[(5-hydrazinothiadiazol-4-yl)methyl]-3-methoxy-N-methyl-propan-1-amine N-[(5-hydrazinothiadiazol-4-yl)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) 0.19 1.02 -42.48 4 6 1 78 232.333 7 ↓
Mid Mid (pH 6-8) 0.19 -1.3 -9.58 3 6 0 76 231.325 7 ↓
Lo Low (pH 4.5-6) 0.19 0.86 -119.41 5 6 2 79 233.341 7 ↓

Analogs

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Popular Name: [4-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]thiadiazol-5-yl]hydrazine [4-[[4-(pyrrolidin-1-ylmethyl)-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) 1.15 5.56 -100.19 5 6 2 73 298.46 5 ↓
Mid Mid (pH 6-8) 1.15 3.3 -40.51 4 6 1 72 297.452 5 ↓
Lo Low (pH 4.5-6) 1.15 5.39 -191.59 6 6 3 74 299.468 5 ↓

Analogs

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Popular Name: 4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine 4-[(4-propyl-1-piperidyl)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 4.68 -39.75 3 4 1 56 241.384 4 ↓
Hi High (pH 8-9.5) 2.57 2.42 -7.33 2 4 0 55 240.376 4 ↓

Analogs

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Popular Name: N-methyl-4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine N-methyl-4-[(4-propyl-1-piperidy…

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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 5.75 -38.83 2 4 1 42 255.411 5 ↓
Hi High (pH 8-9.5) 2.95 3.51 -7.73 1 4 0 41 254.403 5 ↓

Analogs

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Popular Name: N-ethyl-4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine N-ethyl-4-[(4-propyl-1-piperidyl…

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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 6.55 -37.74 2 4 1 42 269.438 6 ↓
Hi High (pH 8-9.5) 3.32 4.29 -6.44 1 4 0 41 268.43 6 ↓

Analogs

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Popular Name: N-propyl-4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine N-propyl-4-[(4-propyl-1-piperidy…

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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 7.3 -38.11 2 4 1 42 283.465 7 ↓
Hi High (pH 8-9.5) 3.83 5.03 -6.17 1 4 0 41 282.457 7 ↓

Analogs

42003549
42003549

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Popular Name: N-[2-(4-acetylpiperazin-1-yl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[2-(4-acetylpiperazin-1-yl)eth…

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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) 0.04 1.26 -14.13 1 7 0 78 311.411 5 ↓
Mid Mid (pH 6-8) 0.04 3.43 -58.3 2 7 1 80 312.419 5 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)sulfonylthiadiazole-4-carboxamide N-(4-ethoxyphenyl)sulfonylthiadi…

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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) 1.37 -1.21 -56.21 0 7 -1 105 312.352 5 ↓

Analogs

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Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(thiadiazol-4-ylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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) 1.53 4.65 -17.44 0 6 0 82 275.289 2 ↓

Analogs

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Popular Name: [(3S)-3-[2-(4-fluorophenyl)ethyl]-1-piperidyl]-(4-methylthiadiazol-5-yl)methanone [(3S)-3-[2-(4-fluorophenyl)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) 3.69 8.73 -8.69 0 4 0 46 333.432 4 ↓

Analogs

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Popular Name: [(3R)-3-[2-(4-fluorophenyl)ethyl]-1-piperidyl]-(4-methylthiadiazol-5-yl)methanone [(3R)-3-[2-(4-fluorophenyl)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) 3.69 8.78 -8.82 0 4 0 46 333.432 4 ↓

Analogs

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Popular Name: (2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-methylthiadiazol-5-yl)met (2-methyl-4-pyrrolidin-1-yl-6,8-…

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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) 1.04 7.14 -38.22 1 7 1 76 345.452 2 ↓
Mid Mid (pH 6-8) 1.04 6.76 -9.34 0 7 0 75 344.444 2 ↓

Analogs

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Popular Name: (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(4-methylthiadiazole-5-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) 1.46 5.66 -49.98 1 6 -1 95 290.324 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(4-methylthiadiazole-5-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) 1.46 5.65 -49.81 1 6 -1 95 290.324 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(thiadiazole-5-carbonylamino)propanoic (2R)-2-phenyl-2-(thiadiazole-5-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) 1.24 5.15 -50.63 1 6 -1 95 276.297 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thiadiazole-5-carbonylamino)propanoic (2S)-2-phenyl-2-(thiadiazole-5-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) 1.24 5.15 -50.59 1 6 -1 95 276.297 4 ↓

Analogs

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Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-imidazolidin-2-one 1-[(5-chlorothiadiazol-4-yl)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) 1.13 2.97 -14.49 0 5 0 49 232.696 2 ↓

Analogs

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Popular Name: 1-[(5-aminothiadiazol-4-yl)methyl]-3-methyl-imidazolidin-2-one 1-[(5-aminothiadiazol-4-yl)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) -0.06 0.37 -21.59 2 6 0 75 213.266 2 ↓

Analogs

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Popular Name: 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidin-2-one 1-methyl-3-[[5-(methylamino)thia…

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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) 0.31 1.4 -21.63 1 6 0 61 227.293 3 ↓

Analogs

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Popular Name: 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(ethylamino)thiadiazol-4-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) 0.69 2.24 -20.55 1 6 0 61 241.32 4 ↓

Analogs

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Popular Name: 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidin-2-one 1-methyl-3-[[5-(propylamino)thia…

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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 2.99 -20.24 1 6 0 61 255.347 5 ↓

Parameters Provided:

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