UCSF

ZINC12360044

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 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) 2.84 4.88 -9.5 1 2 0 33 195.221 0
Lo Low (pH 4.5-6) 2.84 5.34 -29.7 2 2 1 34 196.229 0

Vendor Notes

Note Type Comments Provided By
MP 101 TCI
Melting_Point 103-105? Alfa-Aesar
Melting_Point 103-105° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US6013383; US6114055 IBM Patent Data

Activity (Go SEA)

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