UCSF

ZINC95535271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2013 25 No

CAS Number: 84000-07-7

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) 1.45 12.83 -33.54 1 5 0 71 339.391 7
Mid Mid (pH 6-8) 1.45 10.42 -51.03 0 5 -1 70 338.383 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 140? Alfa-Aesar

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

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