UCSF

ZINC20075706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 No

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) 0.15 2.81 -6.66 3 5 0 71 221.26 2
Lo Low (pH 4.5-6) 0.15 1.64 -31.79 4 5 1 73 222.268 2
Lo Low (pH 4.5-6) 0.15 1.76 -28.79 4 5 1 73 222.268 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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