UCSF

ZINC38613820

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 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) 3.72 9.33 -14.28 2 6 0 101 444.568 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0223524A2; EP0223524B1; EP0766960A1; EP0781546A1; US4478818; US4765983; US4880416; US5914118 IBM Patent Data

Activity (Go SEA)

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