UCSF

ZINC05199857

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 24 No

Popular Name: methyl 3-(1H-1,2,3-benzotriazol-1-yl)-2-(benzoylamino)acrylate methyl 3-(1H-1,2,3-benzotriazol-…

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CAS Number: 123530-55-2

Other Names:

MFCD00172464

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) 2.32 7.86 -15.08 1 7 0 86 322.324 5 ↓

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.