UCSF

ZINC22996824

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 19 No

Popular Name: 2-[3-(4H-1,2,4-triazol-4-yl)propyl]-1H-isoindole-1,3(2H)-dione 2-[3-(4H-1,2,4-triazol-4-yl)prop…

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CAS Number: 897054-14-7

Other Names:

MFCD11501864

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) 0.94 8.84 -17.23 0 6 0 70 256.265 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 184 - 186 KeyOrganics

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Rings

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

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