UCSF

ZINC00967341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 22 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) 5.08 -0.05 -9.61 0 2 0 25 282.346 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 124-128? Alfa-Aesar
Melting_Point 124-128° Alfa-Aesar
MP 127 TCI
Purity 98% Fluorochem
PUBCHEM_PATENT_ID WO2000031208A1 IBM Patent Data

Activity (Go SEA)

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