UCSF

ZINC01047487

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 30 No

Popular Name: 5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ol 5-{[2-nitro-4-(trifluoromethyl)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) 5.13 8.37 -60.29 0 7 -1 100 449.312 6 ↓
Mid Mid (pH 6-8) 4.67 9.16 -20.8 1 7 0 97 450.32 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.