UCSF

ZINC03829093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 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) 4.16 10.06 -10.07 2 3 0 44 323.399 3
Lo Low (pH 4.5-6) 4.16 10.36 -42.05 3 3 1 46 324.407 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999000381A1 IBM Patent Data

Activity (Go SEA)

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