UCSF

ZINC12502183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 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) -2.41 -5.28 -22.94 6 10 0 159 283.244 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0628817A1; EP0719265A1; EP0719265B1; EP0866796A1; EP0866796B1; US4950665; US5571666; US5591773; US5721341; US5827644; US5906723; US6045676; US6153745; WO1997011083A1; WO1997011371A1; WO1998009161A1 IBM Patent Data

Activity (Go SEA)

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