UCSF

ZINC04052182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 14 No

Other Names:

MFCD03848483

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) 0.17 1.82 -8.04 1 4 0 59 208.242 2
Lo Low (pH 4.5-6) 0.17 2.1 -40.43 2 4 1 60 209.25 2

Vendor Notes

Note Type Comments Provided By
melting_point 201 - 205 KeyOrganics

Activity (Go SEA)

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