UCSF

ZINC00013852

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 18 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) 1.42 -0.87 -58.51 1 5 -1 90 262.266 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5162350; US5166353; US5240949 IBM Patent Data

Activity (Go SEA)

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