UCSF

ZINC03637805

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

Popular Name: 3-Amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)pyrazole; BRN 0791098; LS-128039; Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- 3-Amino-4-(alpha,alpha,alpha-tri…

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Annotations

Vendors

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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) 2.54 4.59 -6.03 3 3 0 55 227.189 2 ↓
Mid Mid (pH 6-8) 2.54 4.56 -6.89 3 3 0 55 227.189 2 ↓
Mid Mid (pH 6-8) 2.54 4.74 -37.83 4 3 1 56 228.197 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )