UCSF

ZINC01382830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 Yes

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

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CAS Number: 321538-33-4

Other Names:

MFCD00974208

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) 2.58 8.8 -10.63 0 8 0 84 409.833 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 160 KeyOrganics

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Rings

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

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