UCSF

ZINC20218706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 Yes

Other Names:

MFCD00172914

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) -1.15 -1.39 -59.27 4 6 -1 108 231.235 1
Lo Low (pH 4.5-6) -0.78 1.38 -13.42 5 6 0 101 232.243 1

Vendor Notes

Note Type Comments Provided By
melting_point 246 - 248 KeyOrganics

Activity (Go SEA)

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

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