UCSF

ZINC11535644

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 11 Yes

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) -0.43 1.74 -8.51 1 3 0 42 150.181 2
Lo Low (pH 4.5-6) -0.43 2.02 -39.98 2 3 1 43 151.189 2

Vendor Notes

Note Type Comments Provided By
MP 68-70° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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