UCSF

ZINC06091777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 18 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) 1.67 -5.77 -12.58 6 6 0 121 250.206 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0445819A3; EP0555861A1; EP0555861B1; EP0644460A1; EP0644460B1; EP0658807A1; EP0658807B1; EP0672952B1; EP0677789A1; EP0677789B1; EP0684521A1; EP0684521B1; EP0706089A3; EP0710886A1; EP0710886B1; EP0745575A1; EP0745575B1; EP0753795A1; EP0753795B1; EP076488 IBM Patent Data

Activity (Go SEA)

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