UCSF

ZINC04716447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 9 Yes

Other Names:

MFCD01099769

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) 1.00 4.84 -3.58 0 1 0 13 119.167 1
Lo Low (pH 4.5-6) 1.00 5.11 -30.16 1 1 1 14 120.175 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5543433 IBM Patent Data

Activity (Go SEA)

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