UCSF

ZINC19324254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 12 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) 0.55 4.27 -93.72 3 3 2 21 173.304 4
Hi High (pH 8-9.5) 0.55 3.33 -90.53 3 3 2 24 173.304 4
Mid Mid (pH 6-8) 0.55 1.75 -31.45 2 3 1 20 172.296 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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