UCSF

ZINC34926979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 0.67 4.69 -48.8 5 7 1 92 297.36 4
Mid Mid (pH 6-8) 0.80 4.39 -51.14 5 7 1 89 297.36 4
Mid Mid (pH 6-8) 0.80 4.45 -14.86 4 7 0 88 296.352 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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