UCSF

ZINC05379456

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 No

Other Names:

MFCD00665184

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) 4.03 1.24 -8.84 0 4 0 47 334.158 1

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 197 KeyOrganics

Activity (Go SEA)

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