UCSF

ZINC05209113

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 23 No

Other Names:

MFCD00171850

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) 4.48 9.92 -6.28 0 4 0 39 331.799 5

Vendor Notes

Note Type Comments Provided By
melting_point 93 - 97 KeyOrganics

Activity (Go SEA)

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