UCSF

ZINC05217255

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 27 No

Other Names:

MFCD00169502

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) 6.58 4.52 -12.13 0 3 0 43 356.421 6

Vendor Notes

Note Type Comments Provided By
melting_point 162 - 164 KeyOrganics

Activity (Go SEA)

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