UCSF

ZINC04293946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 No

Popular Name: 1-Ethyl-3,5-dimethyl-4-nitro-1H-pyrazole 1-Ethyl-3,5-dimethyl-4-nitro-1H-…

Find On: PubMed — Wikipedia — Google

CAS Number: 90008-59-6

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) 1.09 4.97 -7.84 0 5 0 64 169.184 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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