UCSF

ZINC08730153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 11 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) 3.21 4.52 -4.41 1 2 0 29 231.48 0
Ref Reference (pH 7) 3.21 4.51 -5.58 1 2 0 29 231.48 0

Vendor Notes

Note Type Comments Provided By
melting_point 212 - 213 KeyOrganics
MP 212-213° Matrix Scientific
Purity 95% Fluorochem
Purity >85% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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