UCSF

ZINC05344512

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 20 No

Other Names:

MFCD00665193

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) 3.05 7.59 -9.4 0 4 0 46 306.152 2

Vendor Notes

Note Type Comments Provided By
melting_point 201 - 203 KeyOrganics

Activity (Go SEA)

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