UCSF

ZINC31672981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 9 No

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) 2.36 3.01 -3.66 1 2 0 36 120.155 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0034725A2; EP0176857A2; EP0264198A2; EP0264198B1; EP0278763A2; EP0278763B1; EP0295144A1; EP0295144B1; EP0316649B1; EP0317859A2; EP0317859B1; EP0463784A2; EP0463784A3; EP0463784B1; EP0498657A2; EP0498657A3; EP0554627A1; EP0554627B1; EP0594037A1; EP059403 IBM Patent Data

Activity (Go SEA)

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