UCSF

ZINC15441417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 13 Yes

Other Names:

MFCD06201381

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) 2.73 6.45 -5.36 0 1 0 13 173.19 1
Lo Low (pH 4.5-6) 2.73 6.66 -33.28 1 1 1 14 174.198 1

Vendor Notes

Note Type Comments Provided By
Purity 96% Fluorochem
PUBCHEM_PATENT_ID US6096753 IBM Patent Data

Activity (Go SEA)

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