UCSF

ZINC26164852

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 19 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) -1.13 0.46 -21.14 4 8 0 119 269.236 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0286825A2; EP0332626A1; EP0350287B1; EP0457326A1; EP0625158A1; EP0625158B1; EP0988304A1; EP1058687A1; US4880782; US5223263; US5446029; US5449664; US5571798; US5663154; WO1988000050A1; WO1988003804A2; WO1993014103A1; WO1999009031A1; WO1999041268A1 IBM Patent Data

Activity (Go SEA)

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