UCSF

ZINC05517988

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 30 No

Other Names:

MFCD00244792

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) 3.43 11.04 -7.52 0 5 0 50 398.462 5
Ref Reference (pH 7) 3.43 11.76 -7.97 0 5 0 50 398.462 5

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics

Activity (Go SEA)

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