UCSF

ZINC34627045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 9 Yes

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) -0.90 3.64 -32.75 2 3 0 57 131.175 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6096735; WO1995034540A1 IBM Patent Data

Activity (Go SEA)

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