UCSF

ZINC01849946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 No

CAS Number: 53448-07-0

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) 4.85 8.06 -5.91 0 1 0 17 168.28 8

Vendor Notes

Note Type Comments Provided By
Boiling_Point 115?/10mm Alfa-Aesar
Boiling_Point 115°/10mm Alfa-Aesar

Activity (Go SEA)

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