UCSF

ZINC04556708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 31 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) 1.00 -5.79 -46.53 8 10 1 168 441.597 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0030728A2; EP0048433A2; EP0100673A2; EP0105092A2; EP0127535A2; EP0128831A2; EP0128831B1; EP0144993A2; EP0151996A2; EP0151996B1; EP0155387A2; EP0158981A2; EP0158981B1; EP0167152A2; EP0226172B1; EP0229492A2; EP0230670A2; EP0230670B1; EP0235697A2; EP024091 IBM Patent Data

Activity (Go SEA)

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