UCSF

ZINC00347851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

CAS Number: 122-88-3

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) 1.07 4.93 -49.47 0 3 -1 49 191.634 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 156-161? Alfa-Aesar
Melting_Point 156-161° Alfa-Aesar

Activity (Go SEA)

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

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