UCSF

ZINC03882066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 31 No

Other Names:

MFCD03804592

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) 2.76 0.74 -19.31 2 6 0 100 434.504 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0873351B1; US5707984; WO1997021721A1 IBM Patent Data

Activity (Go SEA)

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