UCSF

ZINC04050055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 16 No

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) 3.45 5.77 -37.89 0 3 -1 35 269.396 5

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 109 KeyOrganics

Activity (Go SEA)

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