UCSF

ZINC39346162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 22 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) 1.60 10.14 -47.91 0 5 -1 70 304.366 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5597845; US5716929; US5847135; US5973111; US6103711; WO1995035279A1; WO1995035308A1; WO1996032385A1 IBM Patent Data

Activity (Go SEA)

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