UCSF

ZINC05757987

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 26 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) 6.39 9.41 -13.9 2 4 0 61 371.606 19

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0112719A2; EP0180464A2; EP0361391A2; EP0460683A2; EP0460683A3; EP0574156A3; EP0610015B1; EP0610026B1; EP0612514A1; EP0639369B1; EP0668070A3; EP0695801A3; EP0699431A1; EP0705864A1; EP0705864B1; EP0707060A2; EP0707060B1; EP0736562A2; EP0736562A3; EP078777 IBM Patent Data

Activity (Go SEA)

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