UCSF

ZINC04096526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 32 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) 2.44 -4.64 -45.84 3 6 -1 109 448.624 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0023431A1; EP0037931A2; EP0058002A2; EP0077544A1; EP0077555A2; EP0087787A1; EP0098557A2; EP0105221A1; EP0112093A2; EP0112506A2; EP0117266A1; EP0128706A2; EP0131363A1; EP0141922A1; EP0147464A1; EP0152275A2; EP0152275B1; EP0159694A2; EP0159694B1; EP016193 IBM Patent Data

Activity (Go SEA)

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