UCSF

ZINC01605719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) -1.17 -1.94 -63.48 4 5 0 96 230.308 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0045665A1; EP0129189A2; EP0156319A2; EP0156320A2; EP0156321A2; EP0156322A2; EP0157409A2; EP0229667A2; EP0286171A1; EP0286171B1; EP0295294A1; EP0347890A1; EP0347890B1; EP0349570A1; EP0364804A1; EP0365992A1; EP0376744A1; EP0423170A1; EP0437508A1; EP043955 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.