UCSF

ZINC04170289

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 20 No

Popular Name: 4-nitro-N-(3-nitrophenyl)-2H-pyrazole-3-carboxamide 4-nitro-N-(3-nitrophenyl)-2H-pyr…

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Download: MOL2 SDF SMILES Flexibase

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) 1.27 5.05 -30.77 1 10 -1 148 276.188 4 ↓
Mid Mid (pH 6-8) 1.27 -0.67 -26.19 2 10 0 149 277.196 4 ↓
Mid Mid (pH 6-8) 1.27 5.24 -14.88 2 10 0 149 277.196 4 ↓
Mid Mid (pH 6-8) 1.27 5.05 -30.7 1 10 -1 148 276.188 4 ↓

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

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