UCSF

ZINC76945783

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 34 No

CAS Number: 5119-48-2

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.86 6.1 -20.06 2 6 0 96 470.606 3
Hi High (pH 8-9.5) 3.86 6.66 -70.86 1 6 -1 99 469.598 3

Vendor Notes

Note Type Comments Provided By
Notes Possible carcinogen Apollo Scientific Bioactives

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

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