UCSF

ZINC33799174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 9 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) 2.52 5.47 -2.42 0 0 0 0 156.275 1
Mid Mid (pH 6-8) 2.52 6.02 -41.85 0 0 -1 0 155.267 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5089374 IBM Patent Data

Activity (Go SEA)

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