UCSF

ZINC21548783

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 No

Popular Name: (4Z)-4-[(2-hydroxy-5-nitro-phenyl)hydrazono]-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3 (4Z)-4-[(2-hydroxy-5-nitro-pheny…

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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) 3.38 7.78 -21.97 2 12 0 171 452.305 6 ↓
Mid Mid (pH 6-8) 3.38 7.71 -20.53 2 12 0 171 452.305 6 ↓
Mid Mid (pH 6-8) 3.38 8.59 -38.16 1 12 -1 174 451.297 6 ↓
Mid Mid (pH 6-8) 3.38 8.54 -34.27 1 12 -1 174 451.297 6 ↓

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

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