UCSF

ZINC01383288

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Popular Name: 2-(4-chlorophenyl)-4-methyl-6-(1-phenyl-1H-pyrazol-5-yl)-1,2,4-triazine-3,5(2H,4H)-dione 2-(4-chlorophenyl)-4-methyl-6-(1…

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CAS Number: 477709-01-6

Other Names:

MFCD00794223

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) 2.15 1.8 -8.56 0 7 0 74 379.807 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 203 - 205 KeyOrganics

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Rings

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

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