UCSF

ZINC19933683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 13 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) 0.19 2.24 -89.72 4 3 2 35 187.331 5
Hi High (pH 8-9.5) 0.19 -0.15 -44.03 3 3 1 34 186.323 5
Mid Mid (pH 6-8) 0.19 2.23 -104.91 4 3 2 35 187.331 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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