UCSF

ZINC12959499

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 26 No

Other Names:

MFCD00169272

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) 5.84 13.47 -11.46 0 3 0 43 346.357 6

Vendor Notes

Note Type Comments Provided By
melting_point 124 - 125 KeyOrganics

Activity (Go SEA)

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