UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)benzotriazole 1-(2-chloro-6-methyl-pyrimidin-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) 2.69 6 -9.04 0 5 0 57 245.673 1 ↓

Analogs

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Popular Name: 1-(6-chloro-2-methyl-pyrimidin-4-yl)benzotriazole 1-(6-chloro-2-methyl-pyrimidin-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) 2.36 5.96 -8.66 0 5 0 57 245.673 1 ↓

Analogs

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Popular Name: 1-(2,6-dimethylpyrimidin-4-yl)benzotriazole 1-(2,6-dimethylpyrimidin-4-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) 1.78 6.16 -10.18 0 5 0 57 225.255 1 ↓

Analogs

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Popular Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]hydrazine [6-(benzotriazol-1-yl)-5-nitro-p…

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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) 0.72 5.52 -15.93 3 10 0 140 272.228 3 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine 6-(benzotriazol-1-yl)-N-(2-metho…

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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) 1.32 6.71 -17.14 1 10 0 124 315.293 6 ↓

Analogs

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Popular Name: 1-(6-ethoxy-5-nitro-pyrimidin-4-yl)benzotriazole 1-(6-ethoxy-5-nitro-pyrimidin-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) 1.91 6.18 -17.68 0 9 0 112 286.251 4 ↓

Analogs

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Popular Name: 1-(6-isopropoxy-5-nitro-pyrimidin-4-yl)benzotriazole 1-(6-isopropoxy-5-nitro-pyrimidi…

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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 7.09 -17.85 0 9 0 112 300.278 4 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-ol 6-(benzotriazol-1-yl)-5-nitro-py…

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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) 1.26 3.42 -53.71 0 9 -1 125 257.189 2 ↓
Mid Mid (pH 6-8) 0.80 5.19 -28.47 1 9 0 122 258.197 2 ↓

Analogs

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Popular Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine 1-[6-(benzotriazol-1-yl)-5-nitro…

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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 8.56 -15.09 2 10 0 126 328.336 5 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine 6-(benzotriazol-1-yl)-N-isopenty…

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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) 2.99 9.67 -14.96 1 9 0 114 327.348 6 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidin-4-amine 6-(benzotriazol-1-yl)-N-[(1S)-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) 1.65 7.65 -16.78 1 10 0 124 329.32 6 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-N-[(1R)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidin-4-amine 6-(benzotriazol-1-yl)-N-[(1R)-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) 1.65 7.65 -16.77 1 10 0 124 329.32 6 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-N-[(1R)-1-methylpropyl]-5-nitro-pyrimidin-4-amine 6-(benzotriazol-1-yl)-N-[(1R)-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) 2.55 9.33 -15.27 1 9 0 114 313.321 5 ↓

Analogs

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Popular Name: 6-(benzotriazol-1-yl)-N-[(1S)-1-methylpropyl]-5-nitro-pyrimidin-4-amine 6-(benzotriazol-1-yl)-N-[(1S)-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) 2.55 9.33 -15.29 1 9 0 114 313.321 5 ↓

Parameters Provided:

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