UCSF

ZINC00331984

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Other Names:

MFCD00234707

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) 3.17 0.17 -5.87 0 1 0 12 187.267 2
Lo Low (pH 4.5-6) 3.17 0.31 -25.76 1 1 1 14 188.275 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1028945A1; US6022884; WO1999024404A1 IBM Patent Data
PUBCHEM_PATENT_ID US6083944 IBM Patent Data

Activity (Go SEA)

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