UCSF

ZINC05526007

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 18 No

Other Names:

MFCD01315434

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) 1.15 2.69 -11.1 1 5 0 59 246.266 2

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics

Activity (Go SEA)

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