UCSF

ZINC22459614

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 22 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) 0.92 2.14 -12.15 2 5 0 57 301.39 5
Mid Mid (pH 6-8) 0.92 3.54 -44.93 3 5 1 62 302.398 5
Lo Low (pH 4.5-6) 0.92 4.47 -43.11 3 5 1 59 302.398 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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