UCSF

ZINC05225024

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 11 No

CAS Number: 3615-37-0

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) -1.64 -9.34 -6.15 4 5 0 90 164.157 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 135-141? Alfa-Aesar
Melting_Point 135-141° Alfa-Aesar

Activity (Go SEA)

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

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