UCSF

ZINC96006141

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2014 0 No

Popular Name: 3-(4-Nitrophenyl)-1H-pyrazole 3-(4-Nitrophenyl)-1H-pyrazole

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CAS Numbers: 20583-31-7 , [20583-31-7]

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) 1.95 5.24 -9.26 1 5 0 75 189.174 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.75e+00 g/l DrugBank-experimental
Melting_Point 194-195? Alfa-Aesar
Melting_Point 194-195° Alfa-Aesar
melting_point 195 - 197 KeyOrganics
Purity 97% Fluorochem

Activity (Go SEA)

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

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