UCSF

ZINC04098279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 19 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) 3.52 9.88 -8.61 0 3 0 43 266.381 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0211561A1; EP0211561B1; EP0221635A1; EP0227415A2; EP0240121A2; EP0240121B1; EP0266947A2; EP0266947B1; EP0271240A2; EP0271240B1; EP0276558A2; EP0276558B1; EP0280383A1; EP0295839A2; EP0298590A1; EP0298590B1; EP0302612A1; EP0302612B1; EP0302626A2; EP031725 IBM Patent Data

Activity (Go SEA)

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