UCSF

ZINC20075803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 2.06 6.48 -4.32 3 4 0 62 235.331 6
Lo Low (pH 4.5-6) 2.06 4.88 -30.4 4 4 1 63 236.339 6
Lo Low (pH 4.5-6) 2.06 5 -27.01 4 4 1 63 236.339 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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