UCSF

ZINC59379139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 13 No

CAS Number: 114615-82-6

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) 1.84 9.76 -37.11 0 0 1 0 203.33 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 160? dec. Alfa-Aesar
Melting_Point 160° dec. Alfa-Aesar

Activity (Go SEA)

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

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