UCSF

ZINC03918427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 33 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) 6.74 1.12 -37.38 2 3 1 33 446.586 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0869968A1; EP0883404A1; EP0911321A2; EP0946501A1; EP0950417A2; EP0976404A2; EP0989993A1; EP1001970A1; EP1021410A1; US5552412; US6034102; US6107306; US6107331; US6110932; US6124264; US6124314; US6153622; WO1997024369A1; WO1997031640A1; WO1998028264A1; WO IBM Patent Data

Activity (Go SEA)

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