UCSF

ZINC01675941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 No

Other Names:

MFCD00094736

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) 3.63 2.78 -13 0 6 0 91 244.206 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0655064A1; WO1994004539A1 IBM Patent Data
PUBCHEM_PATENT_ID US3980481; US4038386; US5717003; US5749925; US5985950; US6156815; WO1990012014A1 IBM Patent Data

Activity (Go SEA)

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