UCSF

ZINC03941083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 30 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) 2.64 -1.26 -19.33 1 6 0 81 399.45 7
Lo Low (pH 4.5-6) 2.64 -1.15 -50.77 2 6 1 82 400.458 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999031087A1 IBM Patent Data

Activity (Go SEA)

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