UCSF

ZINC66055194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 18 Yes

Popular Name: 1-(3,5-DIMETHYLPHENYL)-1,5,6,7-TETRAHYDROINDAZOL-4-ONE 1-(3,5-DIMETHYLPHENYL)-1,5,6,7-T…

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CAS Number: 499206-28-9

Other Names:

MFCD17926425

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) 3.18 8.42 -11.49 0 3 0 35 240.306 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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