UCSF

ZINC29545542

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 31 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) 4.37 6.3 -8.02 3 5 0 87 432.601 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0805682A1; US5827883; WO1996022776A1 IBM Patent Data

Activity (Go SEA)

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