UCSF

ZINC20075699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 0.71 4.63 -5.89 3 4 0 62 205.261 2
Lo Low (pH 4.5-6) 0.71 3.43 -29.95 4 4 1 63 206.269 2
Lo Low (pH 4.5-6) 0.71 3.53 -27.02 4 4 1 63 206.269 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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