UCSF

ZINC12359501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 24 No

CAS Number: 69304-47-8

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) 1.29 -4.58 -15.61 3 7 0 105 403.273 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 165? dec. Alfa-Aesar
Melting_Point ca 165° dec. Alfa-Aesar

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