UCSF

ZINC14860786

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 19 No

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) 0.23 -2.48 -11.24 4 8 0 119 330.142 2
Lo Low (pH 4.5-6) 0.23 -6.44 -27.05 5 8 1 121 331.15 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0776211A1; US4719295; US4997926; US5510336; US6147199; WO1995032718A1 IBM Patent Data

Activity (Go SEA)

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