UCSF

ZINC13395139

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 26 No

Other Names:

MFCD00975791

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) 5.01 10.52 -12.27 0 4 0 44 342.398 4
Ref Reference (pH 7) 5.01 10.84 -11.36 0 4 0 44 342.398 4

Vendor Notes

Note Type Comments Provided By
melting_point 160 - 161 KeyOrganics

Activity (Go SEA)

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