UCSF

ZINC04074054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 27 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) 5.06 4.13 -10.3 0 3 0 43 370.533 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0246650A1; EP0246650B1; US4898694; US5157031; US5656621; US5696106; US5700793; US5714481; US5744462; US5804576 IBM Patent Data

Activity (Go SEA)

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