UCSF

ZINC20981526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 11 Yes

CAS Number: 17056-99-4

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) 1.47 2.04 -39.94 0 3 -1 49 145.141 0
Mid Mid (pH 6-8) 1.47 1.19 -8.97 1 3 0 46 146.149 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-102? Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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