UCSF

ZINC44713206

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.88 3.84 -32.35 2 4 0 70 162.148 1
Hi High (pH 8-9.5) 0.88 3.43 -53.29 1 4 -1 69 161.14 1

Vendor Notes

Note Type Comments Provided By
MP 236° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity >97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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