UCSF

ZINC04788532

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 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) 7.97 14.8 -1.36 0 0 0 0 290.582 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0773977B1; EP0909797A1; US5491178; US5514727; US5539014; US5672675; WO1996002596A1; WO1996006142A1 IBM Patent Data

Activity (Go SEA)

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