UCSF

ZINC05377375

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 21 Yes

Other Names:

MFCD00665388

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) 1.91 -2.39 -57.74 0 5 -1 77 324.765 5

Vendor Notes

Note Type Comments Provided By
melting_point 129 - 131 KeyOrganics

Activity (Go SEA)

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