UCSF

ZINC38638667

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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) 2.07 6.43 -119.62 4 3 2 41 250.386 5
Hi High (pH 8-9.5) 2.07 4.32 -46.76 3 3 1 40 249.378 5
Hi High (pH 8-9.5) 2.07 6.08 -33.66 3 3 1 40 249.378 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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